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Does Copper(II)acetate monohydrate have one metal-metal (δ bonds) bond? The crystal structure shows that the Cu-Cu distance is 2.64 Å, but really confusing to consider a Cu-Cu delta bond.
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Yes in Copper(II)acetate monohydrate have one metal-metal (δ bond) bond involving
dx²-y² orbital. Also in more detailed way we can say it is due to this interection the two unpaired electron present in each dx²-y² orbital of each Cu centre will undergo antiferromagnetic superexchange interection. AS a consequence the system becomes diamagnetic. Also we can explain interms of molecular orbital theory.
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I'm looking forward to hear any idea or recommendation related to the following topic.
Morphology change of nano particles with respect to the crystalline structure transformations
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The golden example of this topic is the morphology changes of alumina nano particles as a function of their phase transformations and crystalline structure. In [1] you find what you looking for.
Best regards ]
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Detection of mono/di/polysulphide linkages in the vulcanized rubber using solution as well as solid state NMR 
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It is a China made low-field NMR Company, which has the special products for crosslinking density measurement.
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Hi everyone,
In the Rietveld refinement of mixtures, topas gives by default the percentage content of each phase on the graphics window without any standard error. How can I get the standard error for that? I'm using input files.
Thank you for your answer in advance!
Jamal
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Below is the option to see the error/s.d. in Topas v6, as Marcella Bini pointed out.
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Hi everyone, I have a question regarding the determination of dissolved aluminium by colorimetric method using pyrocatechol violet according to ISO 10566:1994. In the preparation of 'mixed reagent', we have to add 5 mL of the aluminum standard solution (10 mg/L) into 100 mL of this mixed reagent (total volume).
My question is:
- What is the role and function of the addition of standard solution for this method? In this standard it only says "accurate addition of the aluminum standard solution is essential in order to allow a linear calibration at low concentrations".
Note: if we calculate the concentration of this aluminium standard solution in the sample is about 15 µg/L.
Thank you for your answers.
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This is a typical calibration procedure. You will need multiple concentrations to develop a quantitative response relation that you will use to estimate concentrations in your samples
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This may be a question that might not be an intelligent one, but still, this is how we learn tight.
Is it better to call CuFeO2 copper ferrite or delafossite? I know AB2O4 are called ferrites in general.
So in this case with the ABO2 structure, can we call this cuprous ferrite?
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Many chemicals have several names: trivial and systematic (IUPAC nomenclature, red book), and in this case there can be two nomenclature names - anionic and oxide form. In this case, delafossite is a trivial name (from mineralogy, but it can be from technology, everyday life ...), copper (I) ferrite is an anionic form (there is another copper ferrite CuFe2O4 - copper (II) ferrite) and copper oxide (I)-iron(III)) - oxide form of the systematic name.
... If names are not right, words do not fit. If words do not fit, affairs go wrong. ...A gentleman is nowise careless of his words. ... Confucius. Analects XII.3.
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I am attempting to synthesise a compound, hydrothermally. I have taken FeSO4. 7H2O, Co(NO3)2, and NaH2PO2 as the precursors. However even after an hour of stirring ,there is a orangish precipitate which isn't dissolving? What could it be and how do I get rid of it?
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Hello Darren,
many thanks for sharing this very interesting chemical problem with the RG community. Since you have a reaction system with three different components, it is rather difficult to say what has formed as orange / pink precipitate without having any analytical data. What can be said is that sodium hypophosphite (NaH2PO2) is a strong reducing agent, so that the formation of trivalent iron species like Fe(OH)3 can be ruled out. You mentioned that your "orangish precipitate isn't dissolving". Dissolving in what?
I suggest that you should have an elemental analysis of your precipitate done. You can also digest your precipitate in concentrated HNO3 and than do quick tests for cobalt, iron, and phosphorus. It cannot be ruled out that the precipitate contains phosphorus.
Good luck with your experiments!
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In biodiesel production through transesterification, various of heterogeneous catalysts could be utilized. However, each heterogeneous catalysts are showed different yield. My question is What are the factors of heterogeneous catalyst that affect their activation during transesterification?
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Hello Viraj,
thank you for posting this very interesting technical question on RG. We work in the field of synthetic inorganic chemistry, so that I would not call myself a proven expert in the field of heterogeneous catalysis and transesterification. However, I can suggest to you two very instructive review articles which will certainly help you in your analysis. Thus please have a look at the following references:
Heterogeneous catalysis for sustainable biodiesel production via esterification and transesterification
Fortunately this paper has been posted by the authors as public full text on RG, so that you can freely download it as pdf file.
The other paper can also be accessed as public full text as it has been published Open Access:
Application of Heterogeneous Catalysts for Biodiesel Production from Microalgal Oil—A Review
(Please see the attached pdf file)
I hope this helps. Good luck with your work!
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normal transparent color of pertechnetates is due to the great gap in electron composition (the spectrum is totally inthe ultraviolet zone).
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In the structure of many drugs, there is a carboxylic group
What is the significance of this group? Why should it exist in the structure of a drug?
Do you know any article or book or reference about this subject?
Thanks a lot
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Nalidixic acid - A NSAID grs of drugs or pain killer .REF : en.wikipedia.org ( Image Source ) .
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Greetings
It is very difficult for me to choose between these two majors for the master's degree
Although I think this is a question for many other students as well
Regardless of interest, which of these two disciplines do you think has a better future? Which has more job markets, in the US and Europe? Which one is more suitable for studying abroad? And which one has more income? Are jobs related to organic chemistry less than analytical chemistry?
Please share with me if you have information about these two fields and their job market.
Thanks
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The subject of specialisations does not depend on the feature income rather your subject if interest . Organic chemistry has too much scopes as a synthetic( R&D) chemist in multinational pharmaceutical houses like Chem biotech , Pfizer , DRL labs etc etc. Even in post doc level abroad from India very high scope in organic nano synthesis like CNT . So scope of income is naturally very high in organic chemistry indeed . But in analytical chemistry the scope is narrow compared to organic chemistry . Since analytical and quality control laboratories are also guided by organic chemists / phyto chemists / petrochemicals for mainly UV-Visible spectrophotometric analysis / Chromatography like GC , HPLC , HPTLC , GC-Mass spectrophotometer and fluroscence spectroscopy .Yes analyical chemists are useful in effluent treatment / waste water analysis as well as drinking water analysis of trace heavy metals like Cu , Cd, As , Pb , Hg ( II , I ) by AAS ( Atomic abs Spectrophotometry ) AES ( Atomic emission spectrophotometry. In drinking / waste water lab there are so many important analytical parameters like B.O.D , C.O.D , D.O , pH , TDS , TSS and limit tests for heavy metals in trace metals .
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Book on Paddy field Pest
Inorganic chemistry for beginners which have focused on heavy metals chemistry
Thank you
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Dear Ikram Ullah thanks for your kind response. It might also be worth checking the following link which provides access to free books on "Environmental Chemistry":
The following book entitled "Environmental Chemistry Fundamentals" is also freely available as public full text on the internet (please see attached pdf file). I hope that these links will be useful for you.
With best wishes, Frank Edelmann
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I wish to do visible light experiments in the lab. Please suggest what type of setup (bulbs/lamps) I need to purchase? Please suggest to me, the make and the supplier of these items.
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use lamp
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NASICON's and their common analogues use Na, K,Li or other alkali metals, Si, P and some other relatively common metals like Al, Ti, (Fe?) etc. NASICONs are with the formula Na1+xZr2SixP3-xO12with 0<x<3 . NA, Zr, Si are replaceable with isovalent elements and beyond. For example, LiTi2(PO4)3 is also considered a NASICON analogue, so is Li1+xAlxTi2-x(PO4)3. Both Sol-gel and Ball-milling then sintering techniques an be used for NASICONs.
While there are many common minerals like ZIrconia or Moissanite that shows fast ion conductivity, they act at quite high temperature. Silica is extremely common mineral, so is alumina, and apatites are quite common in sedimentary as well as some igneous environment. While complex silicates like Zeolites can exist in nature, why not NASICONs or their some sort of analogues? Does all of them react with moisture and Carbon dioxide relatively rapidly in geological scale? If they do exist, then what kind of geological environment would be conducive to their existence?
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I work as a mineralogist and I am not a specialist in NASICON phases, but the reason that these substances have not yet been found in nature will most likely be the strong hydrating ability and oxygen affinity of Ti and Zr. In even slightly hydrothermal environment there is anatase, resp. zircon (resp. hydrated zircon phases, gelzircon etc.) strongly stable. It is necessary to assess under what conditions, from which input components NASICON are synthesized and whether it is at least a little realistic for a similar synthesis to take place in nature. However, some Zr and Ti phases with PO4 or SiO2 have been found in nature. It is possible to use the search at: https://www.mindat.org/chemsearch.php
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Dear RG Community,
quinalizarin is a dye that used to be very common. Unfortunately, it is hardly used today and, as far as I know, can only be purchased in small quantities at very high prices from Sigma Aldrich:
A BASF synthesis route (according to Bohn) uses the hydroxylation of alizarin with oleum. However, we could not find a detailed synthesis protocol for this.
We would like to use quinalizarin for educational purposes of our students to detect Mg2+ and Al3+ as lake pigments. Of course, we are aware of other methods and reagents, but would like to try this particular option.
My question is therefore, if someone knows a source of purchase quinalizarin or if a group still has stocks from which they could help us with a small amount.
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Dear Florian and Chen Jingwen unfortunately Alfa Chemistry does not sell quinalizarin either. When you check their website for the term "quinalizarin" you receive a message saying that the product is currently not available (please see attached screenshot).
With best wishes, Frank Edelmann
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(Should the research in environmental chemistry, green chemistry, materials chemistry, inorganic chemistry, analytical chemistry and other related chemistry areas be now further accelerated?)
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Extrement important
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I need to prepare a solution of Cu2O for the spin coating process. Some articles report a long synthesis method for solution preparation and then eventually adding ethylene glycol as an additive. Is there any direct method of a simple solution preparation for Cu2O.
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Would you pleased tell us how do you deposited the Cu2O?
This will benefit much!
Thank you for your positive response!
Best wishes
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Dear all
What are the best books in chemistry that can be used for curriculum design "i.e. for Materials Chemistry"?
Please write the name of the best books that you read/know in the field of "chemistry"? General Chemistry, Organic, Physical Chemistry, Inorganic, Biochemistry, Polymer synthesis, Polymer Chemistry, Computational Chemistry, Solvents and Solvation theories, Analytical Chemistry, Electrochemistry, etc [...] and Chemistry Laboratory Design.
Thank you very much
- - -
* Additional comment:
You can, also, send to me links (or the books' front page photo) or E books (PDF or any) here or in private message. Thank you!
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Top 3 Chemistry Books | Personal Statement Reading
  • 1) Periodic Tales: The curious lives of the elements - Hugh Aldersey-Williams.
  • 2) Obsessive Genius: The Inner World of Marie Curie - Barbara Goldsmith.
  • 3) H2O: A biography of water - Phillip Ball.
  • Bonus: Periodic Videos.
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Hello All,
I'm now synthesizing some ruthenium(II) tris(heteroleptic) complexes with the anion hexafluorophosphate.
However, when I'm trying to grow crystals for my complexes, several common solvent pairs (ACN/ether, MeOH/ether, THF/ether ......) does not provide me fine crystals.
Recently, I've found that some research use the solvent pairs Acetone/H2O or MeOH/H2O, and I would like to try the solvent pairs.
Therefore, I'm wondering how I can grow crystals from these solvent pairs? Since water does not evaperate easily for the slow diffusion method, and the density of water is too large for the bilayer method.
Do anyone have experiences using these solvent pairs? Or can anyone give me some suggestions in recrystallization? Thanks!
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Dear Cheng Yun Wu many thanks for sharing this very interesting technical question with the RG community. It might be worth a try using acetonitrile to recrystallize your ionic ruthenium complexes. Often such compounds show a good solubilty in hot acetonitrile and form nice crystals upon cooling of the solution to room temperature. Hot water alone might also be worth a try. If your compounds are very soluble in acetone, you could also try a vapor diffusion technique in which you let diethyl ether diffuse into the actone solution. For more potentially useful suggestions please also have a look at the attached guides to growing single crystals.
Good luck with your experiments and best wishes, Frank Edelmann
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Can anyone suggest what can be the application of silver-based coordination polymer which is not water-soluble?
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Hello Harsha,
this is a very good technical question. In the strict sense all simple insoluble silver(I) compounds like AgX ( X = Cl, Br, I), AgCN and AgSCN are coordination polymers. They all consist of polymeric chains in which the silver cations are bridged by the anionic ligands. A traditional application of silver(I) cyanide, AgCN, is its use in silver-plating solutions.
Nowadays, silver coordination compounds are mainly used as antimicrobial / antibacterial agents. This is also true for silver(I) coordination polymers. For typical examples please see the attached Open Access articles. They describe more complicated silver(I) coordination polymers. Please note that there are many more literature references about this topic available.
Good luck with your research and best wishes, Frank Edelmann
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Interested in knowing molecules with two or more sulfonic/phosphonic acid groups without a common endpoint (excluding phytic acid) and are available from natural resources or utmost commercially available.
Any relevant reading suggestions are also much appreciated. Thanks.
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Dear Nagapradeep N. that's a really interesting technical question. As an inorganic chemist I'm certainly not a proven expert in this field. In fact, without running a detailed internet search, no such compound immediately come to my mind (at least no naturally occurring ones). For a very good overview on the chemistry of organic phosphonates (including bis- and tris-phosphonates) please have a look at the following useful review article:
Phosphonic acid: Preparation and applications
This article is freely available as publiic full text on RG.
The situation looks much brighter when it comes to commercially available compounds of this type. For example, please check benzene-1,3,5-tris(phosphonic acid) and benzene-1,3,5-tris(sulfonic acid).
Good luck with your research!
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Please your response should be with respect to orbital overlap.
Recommendations for further studies will be highly appreciated.
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Hello Gideon,
this is certainly a technical question of fundamental importance. In fact, hydrogen chloride (HCl) is a covalent molecule and not an ionic material like NaCl. It is also important not to get hydrogen chloride confused with hydrochloric acid. Pure hydrogen chloride is a gas, while hydrochloric acid (also often described just as HCl) is an aqueous solution of hydrogen chloride. The bonding in the HCl molecule can be described as an overlap of the singly occupied hydrogen 1s orbital with the half filled 3pz​ orbital of chlorine. Thus we have here an s-p overlap. For more information please refer to my courses on inorganic chemistry which are all available as public full texts on RG.
Good luck with your work!
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I'm conducting research on an anion receptor. I would like to ask, if the PET mechanism can be used to describe fluorescence study or can it also be used for UV-visible studies? Because most of the papers that I'd read discussing about PET mechanism use fluorescence spectroscopy.
Thank you
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i m work on thisd field
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Greetings
One of the most major problems of writing an undergraduate article is the lack of access to a laboratory and a professor to check the accuracy of article information in the laboratory.
For example, at my university, only postgraduate, PhD and postdoctoral students are allowed to work in the laboratory. What should an undergraduate student do if he or she wants to write an article and extract the information needed for his or her paper from the lab?
Undergraduate students do not have access to professors and laboratories to verify their ideas, what should they do to write an article?
Can he write another type of article that is published in a valid journal but does not require laboratory information? Or can he collaborate with a foreign professor to write an article?
What is the solution to the problem?
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Dear Pejman Rahmani Nejad many thanks for asking this very important technical question, which is certainly of broad general interest to many RG members. I'm afraid that my answer is not what you want to hear, but of course you are absolutely free to ignore it. My initial thought was: Why should an undergraduate student write a scientific article? In my personal opinion (which might be somewhat old-fashioned) the main job of an undergraduate student is to attend lectures, courses, and seminars, collect basic knowledge and pass exams. Especially in your discipline, chemistry, you can only write a scientific article if you have new results to report, and new results can normally be achieved only in the lab (if it is not theoretical chemistry). Moreover, you need to have a supervisor / senior scientist / principal investigator who conceicves the research and acts as corresponding author. Writing of a review article is also not a good idea at the undergraduate stage, as you must be a proven expert in the field covered by the review. Thus, in the end, why don't you just be patient and wait until you worked on an own research project and have sufficient new results to publish?
Good luck and best wishes, Frank Edelmann
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I refined the X-ray diffraction pattern by High Score. But I don't lknow to export to get calculated data, example data, Bragg peak position.
Anyone can help me?
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Please open the below link of article (https://www.researchgate.net/publication/352830671or http://dx.doi.org/10.13140/RG.2.2.27720.65287) which practically explains the structures of different materials; structural analyses of different materials validate new atomic structures; study further discusses that crystalline materials do not require primitive cells in order to explain the structures and the distance between electronic states is relevant rather than the lattice constant; study reveals the preliminary detail of crystallinity, non-crystallinity, porosity, texture and noise factors along with overall characteristics of peaks; study further categorizes the residual and thermal stresses; shift in peak, hkl values, Miller Indices, planes, d-spacing, Bragg diffraction, Scherrer equation, pdf card are also explained in this study. Overall, the study suggests to re-investigate the materials at all scales. (This article is not peer reviewed yet.)
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Interested in using commercially available heterocyclic/non-heterocyclic aromatic S-sources for making metallic sulfides under pyrolytic conditions.
Any relevant reading suggestions are also much appreciated. Thanks.
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Dear Nagapradeep N. this is a very interesting technical question. In this context it might be interesting for you to now that thiophenol, C6H5SH, has been reported to be extremely stable to thermal decomposition. According to the article cited below, pyrolysis of thiophenol (= benzene thiol) does not start below 500°C:
Chapter 12 Pyrolysis of Thiols and Sulfides
The chapter has not been posted as public full text on RG, but the Abstract already contains essential information.
Please also have a look at the following potentially useful patent, in which the synthesis of metal sulfide nanocrystals using thiols as precursors has been claimed:
Method for producing metal sulfide nanocrystal using thiol compound as sulfur precursor
Good luck with your research and please stay safe and healthy!
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We are trying to prepare liquid MMN culture medium (Marx, 1949), but we have run into a precipitate problem. We observe the precipitate for the first time after autoclaving. However, when repeating the procedure for the preparation of the medium, we observed that an almost negligible precipitate was already produced after adding the FeCl3. We see that the water turns whitish paying enough attention.
Below I detail the concentration and the order of addition of each component in the medium:
  • CaCl2 · 2H2O -> 66 mg / L
  • NaCl -> 25 mg / L
  • KH2PO4 -> 500 mg / L
  • (NH4)2HPO4 -> 250 mg / L
  • MgSO4 · 7H2O -> 150 mg / L
  • FeCl3 · 6H2O -> 19.992 mg / L
  • Thiamine HCl -> 100 μg / L
  • Malt extrac -> 3 g / L
  • Glucose -> 10 g / L
  • Agar -> 15 g / L
Could an Inorganic Chemist or someone who has prepared this medium before help us?
Thank you very much in advance.
Note: To date we have always prepared the MMN culture medium with agar and we had not observed any precipitate, perhaps because the agar prevented appreciation after autoclaving.
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This Question which interested me a lot, thank you very much
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After the synthesis of a compound at the mono Crystal form I process by structural determination. I ground the product and passed in XRD powder, when I calculated the distance and the lattice planes with HKLgen (using the cell parameters found for the single crystal), I cannot index my spectrum powder? (I did the same for three other hybrid compounds is always the same).
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Which binary alloy pairs would form eutectic with compound and which would not cannot be predicted easily, except for some vague indication in hume-rothery rules. Regarding precipitate shearing vs orowan looping, the second phase precipitates that are most coherent and strong in peak hardness would provide strongest solid-solution strengthening. Otherwise, fine incoherent precipitates would be good as well. My point is-
  • how to find out which precipitates would be coherent and strong and which ones incoherent and fine in case of binary alloying, solely from electronic or other fundamental properties of elements?
Transformation strengthening works only for those elements that undergo an atmospheric-pressure reversible allotropic phase transition. Blocking such transitions result in metastable phases that may strengthen the binary alloy.(e.g. FCC to BCC transition of Fe-C is blocked to generate BCT martensite); regarding this, I ask
  • What are ways to predict the pure elements that undergo a reversible allotropic phase transition under atmospheric pressure solely from their electronic or other fundamental properties?
  • How to predict which alloying elements would provide strongest aid to the diffusionless transformation (e.g. how to predict theoretically that Mo raises hardenability of steel significantly but Ni not very much)?
  • One may point out elevating thermal conductivity and/or retarding diffusion of alloying elements play role is diffusionless transformation to metastable structure. Then, how would one predict the alloying or an element that raises thermal conductivity and/or retards diffusion of other alloying elements most?
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Study Hume-Rothery Principe
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Please I need a material that clearly explain the quantitative inorganic analysis of a mixture of carbonate and bicarbonate with HCl.
Also the quantitative inorganic analysis of a mixture of sodium carbonate and sodium hydroxide with HCl.
I'm getting negative values for my Mml and Pml respectively.
I need help.
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Generally when the dilute HCL acid reacts with sodium carbonate then sodium chloride, carbon dioxide and water are formed. A brisk effervescence is seen in the release of carbon dioxide.
and as far as the reaction is considered then The excess NaOH is immediately titrated with standard HCl to determine how much HCO3 - was present. From the total alkalinity and bicarbonate concentration, you can calculate the original carbonate concentration.
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Molarity o HCl is 0.1M. Is it possible to have a negative value for Mml ?
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Dear Gideon Ibekwute I think this is a technical question which can be easily answered by searching the general internet. As typical examples please have a look at the following useful links:
1. Experiment on the analysis of a mixture of carbonate and bicarbonate
and
2. Analysis of a Mixture of Carbonate and Bicarbonate
(see attached pdf file)
In any case the procedure involves two titrations.
Moreover I strongly suggest that you should go to your university library and get hold of a textbook on quantitative chemical analysis.
Good luck! 👍
P.S. What is Mml ? According to the link cited below, "Mml" can mean anything from "Michigan Municipal League" to "Mobile Man Lift":
I think you will get more qualified answers to your technical question when you avoid such lab jargon as already indicated by Paul Milham. 😊
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Pb^2+ exist in group1 as a chloride(PbCl) with HCl as its precipitating agent while it exist in group 2 as sulphide (PbS) with H2S as its precipitating agent.
Can Pb be confirmed in both of them ?
I confirmed Pb in group 1 which made me stop half way of confirming for its presence in group 2. While we were doing the group separation for group 2, we passed it through H2S at the kipps apparatus which upon reaction with the gas turned our solution to black ppt., which we filtered to obtain a black residue which I suspect to be PbS. However for group 2 I discovered that CuS,HgS,Bi2S3 are also black in colour. Time wasn't on my side to run the confirmatory test. So is it fine to just report the one I confirmed which is group 1.
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Hello!
Can you, please, help me to find the information about formation of complex compounds of rare earth elements with chloride anion.
I`m interested particulary the necessary chloride concentration for stable complexes formation.
Thanks a lot!
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Dear Arina Levina thanky you again for your interesting technical question. You also asked "I suppose QABs extract REE by anion exchange mechanism." Let me answer with a question: What are "QABs!"?
As mentioned earlier by Thomas Jüstel complexes of the type [LnX6]3– (X = Cl, Br, I) are generally kinetically not very stable. To the best of my knowledge they are not readily formed in aqueous solution, but can be prepared through solid-state chemistry or in special organic solvents (e.g. nitriles or nitromethane). Isolation of the hexahalide complexes normally requires the use of organic cations such as pyridinium, tetraethylammonium, or tetraphenylphosphonium cations. One of the most stable and readily isolable hexachloro complexes is the tetravalent cerium complex [pyH]2[CeIVCl6] (py = pyridine), which is often used as precursor in the synthesis of other tetravalent cerium compounds. For more information about the trivalent lanthanide hexahalide complexes please look for the article entitled "Weak or Unstable Iodo complexes. I. Hexaiodo Complexes of the Lanthanides" published by J. L. Ryan, Inorg. Chem. 1969, 8, 2053-2058. For more general information on lanthanide coordination chemistry try to get hold of the highly recommended book "Lanthanide and Sctinide Chemistry" by Simon Cotton.
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Hello,
I am having trouble with a certain siloxane-based polymer. The Si-H bond on each end seems to be too reactive to vinyl groups, which is what I do not want in one of the reaction steps. Is it possible to use an end-capping agent to stop the Si-H from reacting, but is also able to be removed ie 'deprotected'? If so, what materials are possible? I know there are plenty of end-capping agents for the Si-H, but I cant seem to find something that could be efficiently removed. Thank you.
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Dear Adam da, yes it is possible, but since you are targetting end groups (low concentration) may be the efficiency will be low. Please check the attached files. My Regards
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I have synthsised an inorganic compound for complexes, a derivative of 2-acetyl gamma butyrolactone, but am finding it difficult to establish the recrystallization solvent. I have tried it with pet ether, benzene,chloroform, ethylt acetate both in cold and hot condtions but I could not get it to recystallise. Any suggestions?
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Recrystalisation of a derivative of 2-acetyl gamma butyrolactone, you can try ethyl acetae or acetonitrile.
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Greetings
I am a bachelor's degree student in chemistry and I am doing my best to study for a master's degree in another country.If you have also received scholarships in other countries or know someone who has experience, please share this experience with me and others.
Please guide me in a few cases
First: For an undergraduate student in chemistry, other than his or her grade point average, grade in class and english skills, what else is important in his or her resume? Collaborating on a project, working in a lab?
Case 2: Which of the developed countries is easier for a chemistry student to get a scholarship?
Case 3: If you have any advice that helps me and others make a decision, or have any scholarship experience from another country you would like to mention, i be so grateful if you mention it.
.
Respectfully
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Greetings Dear Prof. Frank T. Edelmann
Yes, I would love to study in Germany if I can get fund and scholarship
Thanks a lot for sharing this links and information
Kind regards
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It may be in your education and experience that you deal with the structure of organic medicines. Which combination do you think is most common in organic medicine?
For example, many drugs have carboxylic acid in their structure. In your opinion, which compounds play an important role in the structure of the largest number of drugs?
Thanks
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Dear Pejman Rahmani Nejad thank you for your interesting technical question. In addition to the useful link provided by Lukas Schulig please also have a look at the following relevant article entitled
Chemical Structure-Related Drug-Like Criteria of Global Approved Drugs
The paper is freely available as public full text on ResearchGate. According to this article "the most common functional group is the hydroxyl, as its occurrence frequency in all databases is the top one. Moreover, -COOR or -COOH are the second most common functional groups."
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Hi,
I need to use elemental Selenium for a reaction, but the article I'm using for reference doesn't specify which form of Se was used for it. In the lab stock we have Se powder and Se pellets, and I'm curious if I could use it without additional converting to red Se. I don't have any previous experience working with Se.
For reference - reaction involves formation of SeCF3 from Se and Ruppert-​Prakash reagent.
Thank you for your help.
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I agreed well with dr. Balakrishna Maravanji, gray selenium usually used in synthetic methods in the laboratory.
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Hello All
My question is how can we tell if one functional group of an additive is good for trapping charge (electrons) without causing charge accumulation ?
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Dear Gabris Mahamid thank you for this interesting technical question. As an inorganic chemist I'm not really familiar with this topic, but I can try to suggest to you a few potentially useful articles. Please have a look e.g. at the following papers:
1. Can a single molecule trap the electron?
This article can be freely downloaded as pdf file from the general internet.
2. Functional group dependent dissociative electron attachment to simple organic molecules
This article is freely available as public full text on ResearchGate.
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Without consulting the phase diagram (of still unexplored alloy systems) , how one can predict which alloying addition in an element would produce intermetallics with some given compositions? For example, how would one say that C is (one of the ) most crucial alloying element of Fe and Si of Al, with just consulting the periodic table and electronic structure? Of course, there is no objective definition of "most useful" alloy- the same alloying element raising strength would not be the one that raises ductility.
Some special properties can be reasoned as
  • Strength and ductility- estimable by formulae for Solid solution, precipitation, dispersion and grain boundary strengthening- but how to physically link solid solution strengthening or Pierres-Nabarro stress of an alloy from electronic structures? Can ductility in these cases also be estimated from first principles?
  • As for thermal and electrical properties, the phonon/electron scattering data may be generalizable for a bigger group of alloys to find out thermal and electrical conductivities- but how? The conductivity drop can be compared between solid solutions and intermetallic formers, but how to be sure that the alloy formed would be of any calculated phase distribution and of this certain electrical conductivity from first principles?
  • Corrosion resistance- The Pilling-Bedworth ratio is related to adherence of oxide or other protective films of metal- but how alloy composition can be related to strength, adherence and composition, and ultimately, reactivity of the protective film? Relative position of EMF series can be, of course, estimated from total lattice energy, ionization energy and hydration energy.
I have just mentioned the two extremes of intermetallic formation and complete immiscibility- (complete miscibilities are well explained by hume-rothery rules, and ultimately also depends on how one objectively measures electronegativity), because there is, to my knowledge, no concrete rules to predict nature of phase diagram (isomorphous or eutectic or peritectic or monotectic or...) between two elements, let alone two compounds.
While electronic band structures of an element are available to be computed by standard methods, there is no systematic way to predict crystal structure or computed thermodynamic properties from composition alone (that are vastly generalizable).
I think there are scientific factors like cosmic and geological abundance, position in EMF series (and hence ease of extraction) as well as socioeconomic factors like market demand as choice for an alloying element. But is it possible to locate useful alloying elements for any of the elements with same unified rationale? (say of Mo, Ru, Rh, Pm, Tl)
And again, is there seemingly any way to tell which pair of metals or elements would be completely immiscible in solid states?
In theory, it is all about minimizing gibbs free energy, and from specific heat data of a solid, one can extract both values of enthalpy and entropy term. If this technique is generalizable for any solid, then why it is not used pervasively? is it because we just cannot predict the specific heat without crystal structure, and from chemistry alone, there is no way to predict crystal structure? Is it not possible to obtain Gibbs free energy of overlapping electron orbitals solely from schrodinger's equation, just like total energy is extracted from eigenvalues of Hamiltonian?
Hume-Rothery rules or Darken-Gurry maps are good starting points, but not good enough. Machine-learning based prediction can make things more systematic but without potentially answering the "why"s in a language familiar to humans . Interatomic potentials are scarce and very rarely generailizable for any group of elements (like Lennard-Jones for gases). My question finally boils down to- prediction of effect of alloying of any two elements, and ultimately composition to crystal structure and phase diagram calculation from first principle- is it even partially possible, if yes, how?
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P.S: Honorable Researchers, Please provide related research papers related to these questions, along with your valuable feedbacks. I am unashamedly open to admit my severe incompleteness of knowledge, and I am far from being master of these field of science. SO feel free to point out where I have mistaken, and also show me approach to synthesize such vast scientific knowledge into a coherent framework.
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See some of my related questions
  1. https://www.researchgate.net/post/What_can_be_theoretical_reason_for_these_patterns_of_Crystal_structures_in_periodic_table?_ec=topicPostOverviewAuthoredQuestions&_sg=qQHz-0jUZMihIai8gwUp1voPk-Tw5-YCl59uQgT88757TE3f6VQz9s6UGLULozUurbHcPQ3VJnXpw-YC
  2. https://www.researchgate.net/post/Is_there_any_special_rule_to_find_out_possible_room-temperature_stable_silicates_chemical_composition_if_not_crystal_structure_itself?_ec=topicPostOverviewAuthoredQuestions&_sg=qQHz-0jUZMihIai8gwUp1voPk-Tw5-YCl59uQgT88757TE3f6VQz9s6UGLULozUurbHcPQ3VJnXpw-YC
  3. https://www.researchgate.net/post/How-etchant-for-a-particular-alloy-system-is-developed-Can-it-be-estimated-from-first-principle-physics-chemistry-and-metallurgy?_ec=topicPostOverviewAuthoredQuestions&_sg=qQHz-0jUZMihIai8gwUp1voPk-Tw5-YCl59uQgT88757TE3f6VQz9s6UGLULozUurbHcPQ3VJnXpw-YC
  4. https://www.researchgate.net/post/What_are_the_factors_molecular_crystalline_structure_related_that_affect_refractive_index_of_ceramics_glasses_and_polymers_How?_ec=topicPostOverviewAuthoredQuestions&_sg=qQHz-0jUZMihIai8gwUp1voPk-Tw5-YCl59uQgT88757TE3f6VQz9s6UGLULozUurbHcPQ3VJnXpw-YC
  5. https://www.researchgate.net/post/How-computational-phase-diagram-techniques-can-find-Gibbs-free-energy-of-a-crystalline-phase?_ec=topicPostOverviewAuthoredQuestions&_sg=qQHz-0jUZMihIai8gwUp1voPk-Tw5-YCl59uQgT88757TE3f6VQz9s6UGLULozUurbHcPQ3VJnXpw-YC
  6. https://www.researchgate.net/post/How_can_symmetry_of_a_crystal_can_be_found_out_from_solely_electronic_structure_of_constituent_atoms?_ec=topicPostOverviewAuthoredQuestions&_sg=qQHz-0jUZMihIai8gwUp1voPk-Tw5-YCl59uQgT88757TE3f6VQz9s6UGLULozUurbHcPQ3VJnXpw-YC
  7. https://www.researchgate.net/post/How_binary_solution_models_were_derived_from_first-principle_thermodynamics?_ec=topicPostOverviewAuthoredQuestions&_sg=qQHz-0jUZMihIai8gwUp1voPk-Tw5-YCl59uQgT88757TE3f6VQz9s6UGLULozUurbHcPQ3VJnXpw-YC
  8. https://www.researchgate.net/post/How_crystal_structure_of_a_one-element_metallic_molecular_crystal_under_a_given_T_P_can_be_estimated?_ec=topicPostOverviewAuthoredQuestions&_sg=qQHz-0jUZMihIai8gwUp1voPk-Tw5-YCl59uQgT88757TE3f6VQz9s6UGLULozUurbHcPQ3VJnXpw-YC
  9. https://www.researchgate.net/post/What-decides-lowest-free-energy-crystal-structure-of-a-solid-at-a-given-temperature-and-pressure?_ec=topicPostOverviewAuthoredQuestions&_sg=qQHz-0jUZMihIai8gwUp1voPk-Tw5-YCl59uQgT88757TE3f6VQz9s6UGLULozUurbHcPQ3VJnXpw-YC
  10. https://www.researchgate.net/post/Why-metal-valency-affects-mutual-solubility?_ec=topicPostOverviewAuthoredQuestions&_sg=qQHz-0jUZMihIai8gwUp1voPk-Tw5-YCl59uQgT88757TE3f6VQz9s6UGLULozUurbHcPQ3VJnXpw-YC
Thank you very very much to hold your patience to read the whole post :)
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You asked a very broad question, but I hope my answer will undercover the understanding of some of the subquestions =)
Due to DFT is a tool, which operates with small atomic systems up to a couple of hundreds of atoms (you can consider and larger cell up to 400-500 atoms, but you lose in CPU time or accuracy of calculations), you can consider either single-phase atomic structures (solid solution or stoichiometric phase) or supercells with an interface between two different phases.
As for mechanical properties, you can estimate them using special equations, which have bulk moduli of considered phase as input parameters.
Bulk moduli can be easily calculated using DFT.
For example, you can read how I recently did that for Mo-Ni-B-C cermet.
From experimental data and mechanical properties measurements, we obtained that precipitation of κ-phase Mo10Ni3C3B decreases a hardness with increasing of stress intensity factor.
Then we calculated elastic constants of precipitated Mo10Ni3C3B and existed Mo2NiB2 and Mo2C phases and estimated bulk properties and hardness using special equations (See Supplementary https://lettersonmaterials.com/Upload/Journals/32862/boev_et_al_supplementary_material.pdf).
The bulk modulus, shear modulus, Young’s modulus, and Poisson’s ratio were estimated according to Hooke’s law and the Voigt-Reuss-Hill (VRH) model. For hexagonal polycrystalline crystal:
B=[2(C11+C12)+4C13+C33]/9,
G=(C11+C12+2C33−4C13+12C44+12C66)/30,
E=9BG/(3B+G),
ν=(3B−2G)/2(3B+G),
The Vickers hardness (HV) was calculated according to the empirical formula: HV= 2(K^2 G)0.585−3,
K=G/B
So, we obtained that the new Mo10Ni3C3B phase has a lower hardness and is able to decrease the hardness of the whole material.
Ratio B/G is an indicator for ductility properties.
Bond analysis using electron localization functions (provided in VASP) allowed us to define the nature of the bonding in considered phases.
Covalent bonding means stronger hardness and metallic bonding - more ductility/plasticity.
Also, it is important to analyze the anisotropy factors. That will be able to undercover different useful things.
If you have any questions, do not hesitate to ask me =)
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and I claim no originality of creating the image)
The reason of the following structures are given in wikipedia, with some exceptions, at room temperature.
  • usually BCC structure of alkali metal, group 5 (VB) and 6 (VIB) plus Mn and Fe
  • usually FCC structure of Noble Gases (not helium), and near right end of transitional elements?
  • usually HCP structure of group 3 (IIIB), 4 (IVB) and 12 (IIB) and also group 7(VIIB) and 8 (VIIIB, left group) except for first two (Fe, Mn)
  • HCP and DHCP of lantahnides and actinides?
If all of these can be explained in terms of electronic configuration , then a significant electronic-to-crystal structure interrelation in simpler terms can be obtained.
(and possibly, ratio of metallic bandgap or Fermi energy etc. like energy parameters and average electron K.E at room temperature, then I think the correlation would be stronger. Perhaps, if one replaces spherical model of a metallic atom with its feasible 3D dirctional variation of outermost electron shell geometry, the the correlation is likely to be even stronger)
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The trends are well known, but it is difficult to say in a single sentence, why this trends exist. The following can, however, be stated:
-Mn, Fe, Co deviate from the trend because of the magnetic contribution to the thermodynamic functions.
-the total cohesive energy is much larger than the differences between the energies of the crystal structures. So there are non-obvious subtle effects which are responsible for the energy differences and which determine the observed crystal structures. Some quantitative thoughts can be found in
(quick find by google scholar)
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The Lanthanide contraction which is the decrease in ionic radii of the elements in the lanthanide series from atomic number 57, lanthanum, to 71, lutetium, is due to poor shielding of the 4f electrons which decreases the radius. It is also known that the relativistic effects make the core orbitals (s,p) contract while the f and d orbitals expand. How does this "relativistic effect" leads to the contraction of these orbitals which lead to Lanthanide contraction?
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Frank T. Edelmann can you please also answer this question
This question is also related to a relativistic effect in atoms sir.
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Would please help to predict the compound formed from reaction of
elemental sulfur-acetone + water --> white precipitate (may be sulfur colloid)
then white precipitate (may be sulfur colloid) + NasS --> dissolved and green solution ????  what is the possible reaction?
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Today i did some experiment like this. I added a random amount of sulfur and sodium hydroxide in a test tube and aded a drop of water, then i heated until the water was evaporated and the sulfur stopped melting (this produces Na2S + Na2S2O3) . Then once the products were cooled, i added a few mililiters of acetone and rapidly turns into a green solution wich desapears once HCl is added. I think the green color is due to the presence of polysulfides wich forms in adding elemental sulfur (my source of sulfur was the unreacted one)
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Suppose one needs to find out room-temperature stable silicates chemical composition of a particular cation, suppose magnesium. Is there any rule to estimate which stoichiometric values of metal oxide: silica ratio would stabilize the binary silicate at room temperature? (i.e. in this example, how would I find out only Forsterite and Enstatite are of stable ratio, without empirically studying MgO-SiO2 phase diagram?)
At a first glance, the ratio seems to be consisting of any possible prime(and 1) numbers. Since its crystal structure is not known, Pauling's Rules also cannot be applied step-by-step to find out where silica tetrahedra are sharing corners, edges or faces.
Theoretical Computational and numerical simulation of phase diagram obviously can find out the stable ratios, but this is not what I ask for. I ask for tolerably simple chemistry rules like those provided by Hume-Rothery, Pauling or Goldschmidt, understandable with freshmen/sophomore chemistry/materials science/mineralogy knowledge.
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Dear Frank T. Edelmann
It is sad, but it is true. Your valuable suggestion was not recommended. In contradistinction, the banal response -- Good question --- got one recommendation. I have already seen that such a banal and unjustified response gets 7 or more recommendations. It is happened to me on several occasions Someone says that my post brings very good points. This someone gets 7 or more recommendations, whereas my post gets none. There will be "recommendation teams" ? To put things right, in name of justice and intellectual probity, I decided to recommended your post, not because of you, but because of what it contains.
Could you please not to recommend this my post?
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While CCS can be employed along with a conventional Carbon-efficient EAF steelmaking process (especially from iron ore) or even Hydrogen or hydrocarbon can bee passed through central electrode, this question asks for an electrode for which no consumable (or at least, purposefully oxidizable) electrode would be used, and no Carbon-based reductant would be used (Hydrogen bases reductants usually has lower efficiency than carbon). Oxygen would be generated in anode and Metal at cathode, not unlike Aluminium.
Then, what would be the chemical composition of the electrode? If the electrode is submerged into the melt, Platinum-Rhodium alloys are best choice theoretically but too expensive economically. Can any other suitable Fast Ion conductor take the role, especially if the electrode is not kept in contact with metal but rather discharges electric spark, more like a conventional DC-EAF rather than an electrolysis cell?
In this case
  • Too high voltage required for spark may reduce or even vaporize some metals and container walls. What ca n be done in this respect?
  • How fast ion conductors would be joined with electronic conductor, especially taking into consideration drift of point defects that might generate porosity in the metal-oxide interface?
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good question
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Hi
In the design of a bidentate ligand with imine group, is it okay to have a 3,4,5-trihydroxyphenyl group in the structure?
In other words, does the 3,4,5-trihydroxyphenyl group compete with the other chelating groups in the molecule to coordinate with the metals?
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Dear Asim A. Balakit please also see this potentially useful article in which the authors employ the 3,4,5-trihydroxyphenyl substituent in their ligand. The work is entitled
N-acylhydrazone inhibitors of influenza virus PA endonuclease with versatile metal binding modes
The paper is Open Access and freely available as full text from the general internet.
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Hello we all know the electronegativity scale and concept of elements in the periodic table
However when it comes to whole materials such as polymers, nanomaterials and etc
How can we understand theoretically if the synthesized material is highly or poorly electronegative ??
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Dear Gabris Mahamid, the following documents are extremely important in case you want to go deeper in this subject. Also it is nice if you take a look at 'Israelchevilli's book' on intermolecular forces. My Regards
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Kindly I am asking for the possibilities of formation of transition metal complexes of Pt(II) with octahedral geometry.
If it is possible, could you help me by referring to published papers that included this type of complexes?
Thank you very much in advance.
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Dear Mahmoud Najm Abid I just came across this potentially useful article entitled
Electronic spectra of octahedral platinum (IV) complexes
Unfortunately I don't have access to the full text.
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Practically this is not at all necessary. But theoretically, would hydrous/hydrothermal synthesis be enough (like mix 1 mole alumina gel and 4 mole silica gel and gently heat) or would it require combining the oxides in fused state to form feldspar/mafics that would be later hydrothermally treated to form clay? If not directly, then mediated by which agent? If not even possible to make the clays indirectly, then why?
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P.S. Please find attached an interesting review article entitled
"CLAYS, CLAY MINERALS AND CORDIERITE CERAMICS - A REVIEW"
In this review article "The nomenclature and characteristic structural properties of clays, clay minerals talc, kaolin, vermiculite, ceramic raw materials, cordierite ceramics, cordierite and cordierite polymorphs were summarized.
Mineral phases in clay mixtures and cordierites sintered at 1300°C were compared."
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Hello everyone. I need an inorganic chemistry book named 'Selected Topics in Inorganic Chemistry' written by Wahid U. Malik, G.D. Tuli, and R.D. Madan. I will appreciate it if someone helped. Thank you.
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Dear Ayub Khan to the best of my knowledge the book "Selected Topics in Inorganic Chemistry" by Wahid U. Malik, G.D. Tuli, and R.D. Madan. cannot be freely downloaded as pdf from the internet. Why don't you just go over to your university library and ask if you could borrow a copy?
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Hi! I'm kind of a beginner with computational chemistry and I\m trying to study the interaction between copper ion and a graphitic carbon nitride quantum dot. the calculation converges with HF but when I try using DFT the software keeps showing me these messages
EnCoef did 100 forward-backward iterations gaussian
EnCoef did100 forward-backward iterations gaussian
EnCoef did 80 forward-backward iterations gaussian
rare condition: small coef for last iteration: -0.433d-15
and repeats
I tried different functionals with different basis sets but didn't work for me
any help?
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Common options:
1- Try to increase the basis set gradually. first, preoptimize your system at lower level like PM6 semiempirical method... and later using these results as a guess in subsequent computations.
2- Try to increase the maxcycle number for SCF. For example, scf=(maxcycle=512) option.
2- The SCF=QC option is often helpful (slower, but more reliable algorithm)
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I was wondering if it is possible to analyze unknown phases using Rietveld Refinement.
Please comment
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It is possible to analyze unknown phases with Rietveld analysis. Naturally, it is necessary to do a Pawley extraction; It is typically used with powder patterns derived from a crystal structure whose unit cell contents are not or insufficiently known.
In classic Rietveld refinement, each Bragg reflection's intensities are calculated from the atoms' scattering intensities in the unit cell.
By contrast, the Pawley procedure uses the Bragg intensities as freely varying refinement parameters and disregards the underlying atomic structure.
The extracted integrated intensities can, in theory, be used in traditional methods of structure determination.
Pawley refinement of an experimental powder pattern is an essential step before attempting crystal structure determination.
If the lattice parameters and space group are unknown, indexing is necessary to determine possible lattice candidates.
The procedure helps identify the most likely lattices and space group settings corresponding to the experimental pattern.
Once the powder experiment is indexed, it provides the proposed set of lattice parameters' fundamental values for the experimental data.
At this stage, perform refining of the integrated Pawley intensities for exporting the integrated intensities correcting the scale factor and base line contributions of the unknown phase.
These procedures can determine the cell parameters and a bare low symmetric space group for the unknown by observing diffraction peak absences.
Once partially characterized, there are no atoms in the symmetric site description; the known phase is fitted, and the unknown lattice is characterized for further atoms inclusions and association.
In case of a completely unknown phase, some other methods are possible to be applied, such as Patterson's method to extract the heavier atoms positions in the first place and fulfill the asymmetric unit step by step.
Best regards,
WNM
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ferrite, cementite, austenite and martensite are enough to describe phase constituent of a vast number of steels. But has there been any extensive research on partition coefficient of impurities and alloying elements in these phases, by a two-by- two basis ?(e.g. ferrite and cementite in plain carbon steel, ferrite and martensite in martensitic steel, ferrite and austenite in duplex stainless steel) What would be the possible crystallographic sites of substitution (and possibly interstitial solid solution) can be inferred for the metal and ceramic crystal structure upon knowing this issue.
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There are a few things to distinguish here, i.e.
1) full equilibrium partitioning among all phases (and making sure that all phases present are really known and not overlooked, for instance because they are very small), considering full thermodynamic equilibration for all of the elements (viz the fast ones such as C, N, H etc and the slow ones such as Mn and Si etc) - this does not happen very often. Most low temperature equilibrium partitioning coefficients are extremely difficult to measure.
2) equilibrium partitioning among phases only for fast diffusers; rest same as above
3) partial equilibrium partitioning only at the interface, but decaying concentrations far away from the interface, due to kinetics.
4) equilibrium partitioning NOT only among the two (or more) phases, but also among the interface itself and the adjacent phases (the interface is a thermodynamic trapping site of its own, due to the adsorption isotherm, and may elements in steel also partition to them (and not only to the phases)).
All of the resulting partitioning coefficients depend substantially on kinetics and composition of course.
Some of them can be obtained directly from multi-component phase diagrams (full equilibrium required, is practically never the case in steels) and some not (kinetics, then u have to use dictra of phase field etc).
In all of these cases exact values for multi-component partitioning coefficients can experimentally usually only be obtained by using atom probe tomography.
Taking partitioning coefficients from the concentration profiles very close across the hetero-interfaces is particularly helpful as the atoms can maintain local equilibrium (equal chem. potential across the interface) with only a few atomic diffus. jumps - when probing far away from the interface partitioning coefficients are usually wrong, due to kinetics.
Good luck.
Here are some references, but this is a wide and really complex field…
some example pictures are also attached, just to give a rough impression
etc
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The basics of electronic conductivity can be explained without inciting quantum mechanics or brillouin zone- simply by virtue of outermost free electrons of metallic elements (from electronic configuration) and overlapping of energy bands as many metal atoms come close to one another. The similar approach for electrical conductivity does not apply too good for ceramics, because it is nearly impossible to explain delocalized electrons in ionic/covalent bonded material in terms of basic chemistry (say 10th to 12th grade level) without inciting QM, VBT-MOT and Brillouin zone; and it is hopeless task to locate position of electronic band for ceramics with simple Bohr theory of Atom (e.g. Rydberg ionization equation).
So, How can I preliminarily explain electrical (both ionic and electronic) conductivity of ceramics in a language familiar with (preliminary) origin of band structure in metals? I do not want deep Quantum Mechanics or Brillouin Zone explanation at this level.
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Dear Sumit Bhowmick, you can use the semiclassical and geometrical approach of Lifshitz and Kaganov to explain conductivity in normal metals.
I don't know any related works in ceramics, where the Fermi surfaces can be open. However, there are the so-called molecular conductors.
Electron theory of metals and geometry by M. I. Kaganov and I. M. Lifshits Usp. Fiz. Nauk 129, 487 529 (November 1979)
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KMnO4 acts as a self indicator but K2Cr2O7 not in volumetric analysis?
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Can we use potassium dichromate instead of potassium chromate as an indicator for the determination of chlorides in water? please suggest
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There are large volume of handbooks that prescribe suitable etchant for a particular metal or ceramic, But their theoretical justification is hardly ever mentioned. Then, is it possible to estimate (at least a first order approximation) composition of etchant for a metal/alloy (if its chemical constituents and possible present phases are known from standard thermodynamics and metallurgy) , solely from knowledge of organic and inorganic chemistry? Or just is it purely empirical trial-and error?
For example, nital or picral are good etchant for some ferrous alloys, but why is the acid nitric acid (cannot be sulfuric/hydrochloric/phosphoric?) instead of other strong acids; or picric acid instead of any other aromatic ortho-para trisubstituted (electron-withdrawing group) phenol? Is there any aromatic coordination chemistry or organometallic chemistry involved? Why is the other reagent alcohol instead of , say, water/ketone/aldehyde/ether; and why is the alcohol ethanol instead of, say, methanol, isopropanol or neopentanol?
Similar question can be posed for any other metal/alloy system and corresponding etchant. Exact metal or etchant are not asked here. And some related questions that may rise are
Is reactivity of particular metal contained in a microstructural phase with inorganic and organic reagents cannot be even first-order estimated with standard inorganic and organic chemistry? Why?
If coloring compound formation is the key, then how the color between transitional/ non-transitional metal and a ligand (can be organic chromophore) can be estimated with relatively simple first principle study?
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Dear Dr. Sumit Bhowmick ,
the etching reagents for macroscopic examination or chemical polishing have been under study for many years, as shown by one of the texts most dear to me:
-Smithells Metals Reference Book, Edited by E. A. Brandes and G. B. Brook of which I am attaching the link to the 7th Edition (1992):
Smithells is the only single volume work which provides data on all key aspects of metallic materials.
Smithells has been in continuous publication for over 50 years. The 8th Edition represents the major revision:
by William F. Gale, Terry C. Totemeier, Elsevier, (2003) - 2080 pages.
In the metallography part, you can find quite precise indications on the reagents to be used for a specific material. Starting from this base and using the advice in the notes, to obtain an acceptable result it is necessary to make several attempts using different attack times, possible dilutions, etc.
If you have to get a result in a reasonable time, it is not useful to do other tests ....
My best regards, Pierluigi Traverso.
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Wavelength of light is an obvious factor, but this is not my point of question
Some specific questions are
  • What can be molecular/atomic level mechanism behind temperature and density dependence of refractive index?
  • refractive index is square root of product of relative (electric) permittivity and relative (magnetic) permeability of a medium. How a ceramic/glass/polymer structure can attain high relative permittivity (higher dielectric constant means more polar groups in polymers, more charge imbalance in ceramics) and high relative permeability (aromatic groups and ferromagnetic ligand centers in polymers, second one also for ceramics) without losing transparency?
  • how phase angle of complex permittivity and permeability of a medium depends upon its structure (e.g. factors mentioned above, bulk of chain and steric effect in polymers, photon propagation and phonon-mediated dipole oscillation of ceramics, chemical substitutions in ceramic structure)?
  • Why some atoms elevate refractive index of ceramics and some substituent groups elevate refractive index of polymers more than others? While atomic/ionic polarizability can be explained from fajan's rule and pearson's HSAB theory, and magnetic behaviors can be explained from magnetic spin, electronic configuration (and spin exchange between nearby atoms); have there been any comprehensive work combining all these aspects to predict refractive index elevation?
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The refractive index of polymers directly related to the polarizability and depends on the wavelength of light.
If a material is structurally isotropic, then it is optically isotropic, and a single refractive index typifies the refraction behavior.
In crystals and anisotropic materials, the refractive index takes different values along different principal axes, and the material is said to be doubly refracting.
The molecular weight of polymers affects their refractive index, but its effect is not significant. In some polymers, as the molecular weight increases, the refractive index increases. For example, for Poly(ethylene oxides), when the molecular weight change from 303 to 9523, the refractive index increases 0.8% (from 1.44592 to 1.45392). While, for polycarbonate, as the molecular weight increases (from 228 to 7196), the refractive index decreases 0.95% (from 1.6021 to 1.5868).
As a result, the relation between refractive index and structural and physical properties is complicated.
I have attached one text about refractive index of polymers. I hope it would be useful.
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Dear colleagues,
Software like biorender (link below) is useful to support researcher in illustrating their researches. However, maybe it is merely difficult to find an appropriate software especially in inorganic materials like catalysis reaction or nanoparticles illustration. Maybe some of you can recommend the software for this?
Thank you.
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HI,
The two software options I would suggest are Gaussian and Hyperchem. Both are usable for calculations. Gaussian is the much bigger name but both are usable for building structures and so much more. Hyperchem should be something you could get cheaper. There are some other software's out there that I have heard of but not had exposure to. That said their are some SW that are "free" but I am not sure how easy they are to work with. Also, if you can find some similar files that are close to what you want, it might be worth trying to get a copy and modify to your needs.
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I am confused at my inorganic chemistry class D:
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Frank T. Edelmann Melchior Menzel Ifiok Ekwere , thank you very much. It helped me a lot.
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For complexes, which have red/orange colour, the absorption for dd occurs nears 420-450 nm. However how do we know it is not MLCT but dd.
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Srividya Swaminathan d-d transitions are symmetry forbidden (Laporte selection rule), and therefore less intense. MLCT (or any charge transfer) transitions are far more intense. Typically, molar extinction coefficients for d-d transitions are in the range of 200-500 M-1 cm-1 whereas that for the MLCTs is >1000 M-1cm-1.
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Kindly I am asking for the possibilities of formation of transition metal complexes of Pt(II) with octahedral geometry.
If it is possible, could you help me by referring to published papers that included this type of complexes?
Thank you very much in advance.
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Hello,
In general, no. Pt(II) likes to be square planar. There are some examples of 5-coordinate Pt(II). Also, you can have Pt(II) with hydrogen bonding to the open sites above and below the square plane, but that's not technically ligand coordination.
Sincerely,
Kyle
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I try to make this deep eutectic solvent, it should stay in clear and homogeneous liquid and room temperature since the mix of these two chemicals will lead to a sink in melting temperature. However, the clear solution only formed at 100 degrees, after cooling to ambient temperature, the clear solution becomes a mixture of oily liquid and needle like solid. Why this phenomenon happens?
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Hlw good day I want to make DES choline cholride +MAA with molar ratio 1:2 can any one share the precise calculation for these moaor ratio..thanks
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For complex molecules with many heteroatoms, can we predict if the molecule is pi-acceptor or donor? Also if possible can someone suggest a good source to read more about these stuff in detail?
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Almost all ligands are sigma donor, though the extent of donation varies from ligand to ligand. Now the question is when a ligand will act as a pi acceptor or donor. Pi donor ligands are those which have extra non bonding electrons in their valence orbitals (simple example iodine). Now the extent of pi donation depends on the symmetry and energy of those orbitals. The energy difference between vacant metal orbitals and filled ligand orbitals should not be very high and both must have same symmetry. Now to be a pi acceptor a ligand needs to have an empty orbital and here too the extent of pi accepting tendency depends on the energy difference and symmetry of the empty ligand orbital and filled metal orbital.
ref: The Organometallic Chemistry of the Transition Metals by Robert H. Crabtree
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I have read that propyl sulfide is a good solvent for CuSCN but it is toxic. Are there any non-toxic alternatives that have a solubility to make a least a 0.01M solution?
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Copper(I) thiocyanate, CuSCN, is a white powder when pure, but often the material of commerce is yellow. It is soluble in ammonia solution, alkali thiocyanate solutions, and diethyl ether, but it is only slightly soluble in water and dilute mineral acids. It is stable in air in the absence of moisture, but it slowly decomposes in the presence of moisture in air.
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Dear colleagues,
I had synthesized silver-phosphate based photocatalyst material with the addition of PEG (various PEG concentration and chain length). When I analyzed using Diffuse Reflectance Spectroscopy (DRS), I found that there is an absorbance intensity chaning on them. It was dramatically lowest than control (without the addition of PEG). The spectra only showed at around 300-400 nm than control (200 up to 600 nm with higher absorbance intensity) or previous literature. Is there any literature or book discussing about that?
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It seems that the sample has a very low background profile than that of control. It might be caused by the incorrect white background reference. Have you measured it several times? You can measure both samples at the same time
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Cheers Everyone.
I was seeing some uses of ionic exchange to recover NH4 by ionic exchange with other cations in a specific matrix. And it brought me to question what drives an ionic exchange to be better towards an ion in solution and not so good to another?
I thought maybe the charge of the cation would influence but maybe is not so relevant as here K and Ca are ahead of Na and Mg. Maybe the hydration radius as an important role in it instead? And can pH of the solution where ionic exchange is done affect also the selectivity of the ionic exchange knowing it can affect the lattice charge of the matrix?
Is there a way we can estimate this? or just by trial?
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Mostly pH is affected.
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In standard text books about Superconductivity like "Buckel" one learns that two fermionic electrons (each spin s=1/2) couple and form a boson with total spin of S=0, which is a singlet state (the spins are anti-parallel).
Is there anything preventing them from forming a triplet state S=1 (the spins are parallel)?
Is it related to symmetry considerations?
What would be the consequences of a S=1 state?
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In addition to all interesting answers in this thread Prof. Magnus Schlösser .
I will add 2 classical references for triplet superconductivity, also called unconventional superconductivity:
  • L. Gorkov: Superconductivity in heavy fermion systems. Sov. Phys. Rev. A Phys 9, pp. 1-116, 1987.
  • M. Sigrist & K. Ueda: Phenomenological theory of unconventional superconductivity. Rev. Mod. Phys. 63, pp. 239, 1991.
Some heavy fermions crystals & A-phase of 3He isotope are triplet paired. Also the strontium ruthenate crystal as already was mentioned in a previous post.
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