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Infrared and Raman Spectra of Inorganic and Coordination Compounds”
... With a 90% yield, 0.90 g of yellow solid was the end product, PPM. The aforementioned synthetic technique has previously been documented (Jamal et al., 2024;2025). ...
... Similarly, aromatic carbons in heterocyclic systems are commonly found in the range of δ 115-145 ppm, depending on substitution patterns and electronic interactions (Sharma, 2007;Silverstein et al., 2014). The observed shifts are characteristic of pyrazole-containing compounds and further confirm the structural integrity of the synthesized molecule (Nakamoto, 2009) At δ 138.3 and δ 130.1 ppm, the pyrazole ring displayed distinctive carbon signals that corresponded to carbons situated next to the nitrogen atom in the heterocyclic ring. The carbon at position 1 of the pyrazole ring, next to the imine group, was identified as the source of the signal at δ 121.6 ppm. ...
... This discovery is consistent with earlier observations in the literature, which state that hydrogen bonding effects are responsible for the broadening of NH stretching vibrations in pyrazole and related heterocyclic compounds, which usually occur in the region of 3200-3400 cm⁻¹ (Silverstein et al., 2014;Pretsch et al., 2013). Similar patterns have been seen in studies on Schiff bases and other nitrogen-containing heterocycles, supporting the idea that hydrogen bonds affect vibrational properties (Sharma, 2007;Nakamoto, 2009). According to numerous reports in vibrational spectroscopy research, the presence of hydrogen bonding can cause peak broadening and spectrum changes (Socrates, 2004). ...
(E)-1-(1-Phenyl-1H-pyrazol-4-yl)-N-(1-(p-tolyl)-1H-pyrazol-5-yl)methanimine (PPM) was synthesized by reacting 1-phenyl-1H-pyrazole-4-carbaldehyde with 1-(p-tolyl)-1H-pyrazol-5-amine in methanol, achieving a 90% yield. The elemental analysis confirmed the molecular formula, C₁₇H₁₃N₅. Structural characterization was performed using NMR, IR, UV-Vis spectroscopy, and mass spectrometry. The 1H and 13C NMR spectra identified the imine, aromatic, and pyrazole groups, verifying the molecular structure. IR analysis showed characteristic bands for C=N, aromatic C=C, NH, and CH₃ groups, consistent with the compound’s functional groups. UV-Vis spectroscopy revealed transitions at 415 nm and 325 nm, indicating an extended conjugated system. Mass spectrometry established the molecular ion at m/z 328 ([M+H]+) and identified fragmentation patterns consistent with the proposed structure. This comprehensive analysis demonstrates the successful synthesis and structural elucidation of PPM.
... All complexes exhibited shifts in the position of the bands related to the β-lactam carbonyl (ν C=O), azomethine groups, υ (-C=N) and carboxylate anion which refers to the coordination of these groups with the metal ions [33] [34]. This was confirmed by the appearance of new low intensity bands at lower wavenumbers corresponding to stretching vibrations of M-N and M-O bonds respectively [33] [35]. The values of frequency difference (∆υ) between the two bands of (COO − ) asymmetric and (COO − ) symmetric stretching vibration (˃200 cm −1 ) refers to monodentate coordination behavior of carboxylate group with the metal atoms [29] [34] [35]. ...
... This was confirmed by the appearance of new low intensity bands at lower wavenumbers corresponding to stretching vibrations of M-N and M-O bonds respectively [33] [35]. The values of frequency difference (∆υ) between the two bands of (COO − ) asymmetric and (COO − ) symmetric stretching vibration (˃200 cm −1 ) refers to monodentate coordination behavior of carboxylate group with the metal atoms [29] [34] [35]. These observations suggest that the two Schiff base ligands behaved as tridentate ligands in the coordination with the metal ions [16] [36]. ...
... These observations suggest that the two Schiff base ligands behaved as tridentate ligands in the coordination with the metal ions [16] [36]. The bands observed at frequency ranges 363 -370 cm −1 were assigned to stretching vibrations of (M-Cl) bonds [32] [35]. Bands assigned to vibrational modes of lattice and coordinated waterbonds [35] were also detected and are described in Table 2 and Table 3. ...
... The IR spectra of ligand and its complexes are studied. It is known from the literature that the band of stretching vibrations of the non-ionized and non-coordinated COO − group lies in the range of 1750-1700 cm −1 , while the ionized and coordinated COO − group lies in the range of 1650-1590 cm −1 [33]. No ligand absorption band at 1745 cm −1 corresponding to the non-coordinated carboxyl group is observed in the spectra of complexes. ...
... As described in [33], bands of stretching vibrations of the C=N group appear at 1590-1604 cm −1 . Bands resulting from CN stretching vibration are observed in the spectra of complexes as shifted peaks (1603, 1608, 1604, 1575 cm −1 , respectively, for Pr, Sm, Eu, and Gd complexes) comparatively with the ligand (1605 cm −1 ) due to involvement of the iminic nitrogen atom in coordination [34]. ...
... The significant weight loss observed during decomposition, which mainly occurs in stages 2 and 3, is due to the elimination of carbonyl group and coordination bond between nitrogen and metal. The last stage, which Based on the results of physicochemical studies and the spectral data of the literature [28][29][30][31][32][33][34][35], the following proposed structure of the metal complexes is assumed (Scheme 2). ...
Objectives. The work set out to synthesize Schiff base ligands containing a hydrazone moiety of ( Z )-2-(( E )-1-hydroxyethylidene)hydrazineylidene)-2-phenylacetic acid, as well as their praseodymium, samarium, europium, and gadolinium complexes, and to study their structure.
Methods. The structure of ligands was identified by infrared (IR), ultraviolet (UV), and nuclear magnetic resonance (NMR) spectroscopy. The structure of the complexes was confirmed by elemental analysis, IR and UV spectroscopy, and thermogravimetric analysis.
Results. The Schiff base ligands containing a hydrazone moiety of ( Z )-2-(( E )-1-hydroxyethylidene)hydrazineylidene)-2-phenylacetic acid, as well as their praseodymium, samarium, europium, and gadolinium complexes, were synthesized using the authors’ procedure.
Conclusions. NMR and IR spectroscopic data confirm that the Schiff base ligand is in the keto form. There are three absorption bands in the wavelength range of 205–306 nm in the UV spectrum of the ligand. A bathochromic shift is observed in the spectrum of all complexes. The molar ratio of ligand and metal in the complexes was 3 : 1.
... The IR spectra of ligand and its complexes are studied. It is known from the literature that the band of stretching vibrations of the non-ionized and non-coordinated COO − group lies in the range of 1750-1700 cm −1 , while the ionized and coordinated COO − group lies in the range of 1650-1590 cm −1 [33]. No ligand absorption band at 1745 cm −1 corresponding to the non-coordinated carboxyl group is observed in the spectra of complexes. ...
... As described in [33], bands of stretching vibrations of the C=N group appear at 1590-1604 cm −1 . Bands resulting from CN stretching vibration are observed in the spectra of complexes as shifted peaks (1603, 1608, 1604, 1575 cm −1 , respectively, for Pr, Sm, Eu, and Gd complexes) comparatively with the ligand (1605 cm −1 ) due to involvement of the iminic nitrogen atom in coordination [34]. ...
... The significant weight loss observed during decomposition, which mainly occurs in stages 2 and 3, is due to the elimination of carbonyl group and coordination bond between nitrogen and metal. The last stage, which Based on the results of physicochemical studies and the spectral data of the literature [28][29][30][31][32][33][34][35], the following proposed structure of the metal complexes is assumed (Scheme 2). ...
Objectives. Elastomeric materials based on styrene–butadiene–styrene (SBS) triblock copolymers occupy approximately three-quarters of the global thermoplastic elastomer market; in the Russian elastomer market, their share exceeds 80%. Their primary applications include the production of shoe sole materials, anticorrosion coatings, waterproofing, and roofing mastics. The predominant form of degradation of such rubber products, which occurs in the presence of heat and oxygen, is known as thermal-oxidative aging. However, the creation of new functional materials based on modified styrene–butadiene block copolymers will enable the development of materials with enhanced resistance to thermal-oxidative degradation. Chlorinated paraffins, comprising a constituent mixture of polychlorinated n -alkanes, can be applied as halogen-containing modifiers for thermoplastic elastomers to enhance their strength and thermal properties. The aim of the present study is to create climate-resistant elastomeric composite materials based on modified SBS triblock copolymers and investigate the influence of a low molecular weight polychlorinated n -alkane modifier (chlorinated paraffin) on their thermaloxidative stability.
Methods. Composite materials based on the SBS triblock copolymers with various amounts of chlorinated paraffin were prepared using the solution blending method. Fourier-transform infrared spectroscopy (FTIR) was used to analyze the impact of the amount of added modifier on the kinetics of thermal-oxidative degradation. The molecular mobility of the elastomers following thermal-oxidation was studied using the paramagnetic probe method to determine the correlation time that characterizes the rotational mobility of the probe in the elastomer matrix. The strength characteristics of the modified elastomer were investigated using a universal testing machine. The kinetics of the thermal-oxidative process were studied using the manometric solid-phase oxidation method.
Results. The results show that oxidation of SBS thermoplastic elastomers occurs mainly in the butadiene blocks. The degradation of unmodified elastomers is caused by chemical bond breakage reactions in the macromolecules. However, due to the sensitivity of double bonds in the polybutadiene segment of SBS, this thermoplastic elastomer is susceptible to light, ozone, and heat.
Conclusions. The multifunctional effect of the halogen-containing modifier on the elastomer leads to increased thermal-oxidative stability of the SBS triblock copolymer thermoplastic elastomer.
... The difference between the frequencies of the main maxima (i.e., 1560 and 1425 cm −1 ) is lower than the value reported for the "free" acetate ionic complex. Thus, it is reasonable to assume that the main acetate species adsorbed at this surface are bidentate/bridging complexes [81]. At 623 K, these bands are the main ones of the spectrum overlapped with new strong absorptions. ...
... Moreover, the greater complexity of the spectra recorded for the FeCeHS sample can be explained considering that the breaking of the C-C bond in small organic molecules also occurs, depending on the reactivity of the surface. The peak at 1385 cm −1 , growing between 573 and 623 K, can actually be assigned to the CH deformation mode of formate species [81]. The addition of iron has significantly reduced the formation of carbonyl species in the oxidation pathway: a very weak C=O stretching mode is only detectable at 1760 cm −1 at 523 K. ...
... Moreover, the greater complexity of the spectra recorded for the FeCeHS sample can be explained considering that the breaking of the C-C bond in small organic molecules also occurs, depending on the reactivity of the surface. The peak at 1385 cm −1 , growing between 573 and 623 K, can actually be assigned to the CH deformation mode of formate species [81]. ...
This work presents a study of the redox properties of CeO2 particles with (FeCeHS) and without (CeHS) Fe2O3 impregnation, as possible innovative catalysts for oxidation and combustion reactions as well as CO2 activation. The topic, therefore, is part of a broader analysis of environmental catalysis, which aims to reduce the emissions of polluting substances and improve the exploitation of energy resources, with consequent progress in the eco-friendly field. Different laboratory techniques (Scanning Electron Microscopy (SEM), X-ray diffraction (XRD), Ultraviolet–Visible (UV-Vis), and Fourier Transform–Infrared (FT-IR) spectroscopies) point out that iron oxide is deposited on the surface of ceria, which maintains its lattice structure, although the particle morphology is slightly changed. Methanol and ethanol adsorption and conversion were evaluated on these catalysts by Temperature Programmed Surface Reaction (TPSR) and by in situ FT-IR spectroscopy of the probe redox properties, evidencing the formation of surface oxidized intermediates and combustion products. The FeCeHS catalyst demonstrates, in our reaction conditions, a good combustion activity in total oxidation of oxygenated molecules, hindering the formation of formaldehyde from methanol and reducing the quantity of CO produced by the partial oxidation reaction. A cooperative effect is suggested by the mixture of these two metals in the oxidation process.
... The infrared spectrum of the ligand showed multiple absorption bands (3459, 1451, 1671 and 3250 cm -1 ) that could be attributed to the phenolic group, azo group, ketogenic and carboxylic carbonyl group, as well as other bands.From the Table 2 of IR spectra of all produced compounds revealed thatthe band of phenolic hydroxide was disappeared in the complexes that means the ligand coordinated throw this group in all complexes, and the ketonic carbonyl and azo groups were shifted in the complexes and show new bands to (M-N, M-O and M-Cl) that means the azo-dye ligand connected to metal ionsthrough three sites: the azo group's nitrogen site, oxygen of phenol group, and oxygen site of ketone group [17][18][19][20] Asa result, the ligand behaved Asan N,O,O tridentate ligand in all complexes. ...
... Electronic spectra were useless due to the impossibility of dd transitions, but the magnetic susceptibility of the Au +3 complex revealed the presence of diamagnetic moments and The Auric ion complex's electronic spectra showed two peaks at 434, and 600 nm that correspond to the 1 A1g→ 1 B1g and 1 A1g→ 1 A2g,respectively. This conclusion really agrees well with other studies on square planer geometry [20][21][22].The measured molar conductivity are (13.76, 9.21, 14.8 and 11.42) Ʌm (S.cm 2 .mol ...
The researchers aimed to develop a novel azo ligand as a continuation of their
prior investigations. They synthesized the ligand, identified as N-(3-acetyl-2
hydroxy-5-methyl-phenyl)N-(4-carboxy-cyclohexylmethyl)-diazonium salt, and
proceeded to synthesize a series of chelate complexes with Ru+3, Rh+3, Pd+2, Pt+4,
and Au+3 ions. Characterization of these compounds includes advanced techniques
including elemental analysis, UV-Vis spectroscopy, FT-IR spectroscopy, LC-Mass
spectrometry, NMR spectroscopy plus thermal analysis, conductivity measurements,
magnetic quantification using TGA and DSC are used to further clarify the and
synthesized complexes have been developed.Analysis revealed that the complexes
formed with Ru+3, Rh+3, Pt+4, and Au+3 ions exhibited a 1:1 metal-ligand ratio and
displayed octahedral geometry, with the exception of Pd+2 and Au complexes, which
displayed square planar geometry. The ligand itself was found to be tridentate
(NOO) in nature. The thermal decomposition of some compounds using the TGA
and DSC was studied and mass spectroscopy. The dye and the complexes were
determined their ability to inhibit free radicals by measuring their ability as
antioxidants using DPPH as a free radical and ascorbic acid as a standard substance,
and determining the value of IC50, as it was found that the ligand had a high ability
to inhibit free radicals, and the ability to inhibit the complexes varied according to
the value of IC50.The results are as follows (Ascorbic acid ˃ Au-complex ˃ Pt
complex ˃ Pd-complex ˃ LH ˃Ru-complex
... The assignment been based on literature value obtained for similar structural compound. In general, the metal complex [9] show very broad band between 3600-3000 cm On the basis of above data a tentative structure of the Fe(III)-Chloroquine complex [9] may be given as structure in (Figure 2). ...
... The assignment been based on literature value obtained for similar structural compound. In general, the metal complex [9] show very broad band between 3600-3000 cm On the basis of above data a tentative structure of the Fe(III)-Chloroquine complex [9] may be given as structure in (Figure 2). ...
Fe(III)-Chloroquine complex has been synthesized and screened for its physicochemical, microbial as well as pharmacological activity have been done in solid and aqueous phase. On the basis of elemental analysis, polarographic studies, amperometric titration and IR spectral studies the probable formula for the complex has been determined at 25±1 O C and ionic strength of = 1.0[KCl]. Raper's paper disc method was used for microbial study against various pathogenic bacteria and fungi. In vivo syudy of Swiss mice [25-30gm] were used for antimalarial activity against Chloroquine and its complex on xyline-Alcoholic activity test Kidney, liver and serum of these rats were also studied. On the basis of observed result it could be concluded that Fe (III)-Chloroquine complex were found to be non-toxic and more potent than pure chloroquine drug.
... Presence of O-H band appears at 2924. 78 [34][35][36]. Peak at ~ 430.03 cm −1 is ascertained as metal-oxygen bond and is correlated to Yb-O's stretching vibration [26,27,29,33]. Te-O bonds are shown by bands at 682.5 cm −1 in the finger print zone [24,36]. ...
... Peak at ~ 430.03 cm −1 is ascertained as metal-oxygen bond and is correlated to Yb-O's stretching vibration [26,27,29,33]. Te-O bonds are shown by bands at 682.5 cm −1 in the finger print zone [24,36]. ...
Ytterbium tellurite (YbTeO6) was synthesized by hydrothermal process. The particles were spherical like tiny beads. Particle size was 105 nm. It showed amorphous nature. It can be used as ultraviolet filters and useful in optoelectronic applications. Optical studies confirmed the presence of native point defects, and surface defects with 4.13 eV energy gap, 0.309 eV urbach energy and 1.549 refractive index. Finger print region confirmed the presence Yb in oxide matrix. Magnetic behavior of YbTeO6, revealed phase transition between 50 and 120 K. At 300 K, it showed feeble ferromagnetic behavior. Half-cell cyclic voltammogram exhibited pseudo-capacitor behavior in potassium hydroxide electrolyte having good symmetry with 0.8 V potential window and 149.66 F/g specific capacitance. Chraonopotentiometry delivered 134.13 F/g at current density 1A/g. Full-cell symmetric supercapacitor device using ytterbium tellurite electrode exhibited 76.73 F/g, specific capacitance, 13.64 Wh/kg energy density and high 800 W/kg power density at 1 A/g. The cyclic stability was 96.7% after 10,000 cycles. Asymmetric supercapacitor device with positive ytterbium tellurite electrode and negative activated carbon electrode exhibited specific capacitance of 88.36 F/g, energy density of 49.09 Wh/kg, and power density of 1000 W/kg at 1 A/g. It showed 80% retention and good columbic efficiency after 10,000 cycles. In applications of energy storage, the current research created a fresh avenue in order to produce new materials with high storage capacity energy and suggested a flexible, asymmetric supercapacitor with higher performance.
Graphical abstract
... Important techniques for physical analysis in coordination chemistry include mass spectrometers, UV-Vis spectrophotometry, nuclear magnetic resonance, infrared and ultraviolet-Vis spectroscopy. 10,[49][50][51][52][53][54][55][56][57] Occasionally, characteristics associated with the primary form of assessment include physical methods like diffraction (X-ray diff, neutron diffraction), ionization-driven (MS and photoelectron spectroscopy), absorption spectroscopy (ultraviolet-visible, infrared light and Raman), and resonance techniques (NMR technology, the effect of ESR and Mossbauer spectroscopy). A thorough summary of frequently utilized methods is given in Tables 5, and includes elements such as elemental auto analysis, the ultraviolet (UV) spectrophotometry, IR spectrum analysis, NMR analysis, single crystal XRD, and MS. ...
... An alternate arrangement for electrons in the octahedral d sublevel may be obtained by looking at the orbits of The possibilities for high-and lowspin electron pairings are shown in these designs. 10,[49][50][51][52][53][54][55][56][57] Low spin configurations are favored by large Δo. The differentiation is contingent upon the size of (Δo) in relation to the amount of spin (P). ...
Coordination compounds are molecules that contain one or more metal centers bound to ligands. Ligands can be atoms, ions, or molecules that transfer electrons to the metal. These compounds can be charged or neutral. When charged, neighboring counter-ions help stabilize the complex. The metal ion is located at the center of a complex ion, surrounded by other molecules or ions known as ligands. Ligands can be thought of as covalently bonded to the core ion through coordination. Understanding coordination theory in chemistry provides insight into the geometric shape of complexes and the structure of coordination compounds, which consist of a central atom or molecule connected to surrounding atoms or compounds. Inorganic coordination compounds exhibit different properties and are used in synthesizing organic molecules. The coordination of chemicals is vital for the survival of living organisms. Metal complexes are also essential for various biological processes, with many enzymes, known as metalloenzymes, being composed of metal complexes. These metal complexes occur naturally.
... The absorption bands at 1579 and 1344 cm −1 in 1 are due to the symmetric and asymmetric stretching vibrations of the nitro group of 4-NO 2 bz, respectively [47,48]. In 1, ν(C-C) and ν(C-N) stretching frequencies of 2-Mepy are obtained at 1595, 1520 and 1386 cm −1 , respectively, whereas out-of-plane deformation ν(C-H) stretching vibrations are observed at 811 and 752 cm −1 , respectively [49]. Lack of bands at around 1710 cm −1 in the FT-IR spectrum of 1 suggest the deprotonation of carboxyl groups of 4-NO 2 bz [50]. ...
Two multi-component coordination compounds of Mn(II), viz. [Mn(H2O)6](2-Mepy)2(4-NO2bz)2·2H2O (1) and [Mn(H2O)6][Mn(2,3-PDCH)3]2 (2) (where, 2-Mepy = 2-methylpyridine, 4-NO2bz = 4-nitrobenzoate, 2,3-PDC = 2,3-pyridinedicarboxylate), have been synthesized and characterized using elemental, spectroscopic (FT-IR and electronic), TGA and single-crystal X-ray diffraction analyses. Complex 1 is a co-crystal hydrate of Mn(II) involving uncoordinated 2-Mepy, 4-NO2bz and water molecules; while compound 2 is a multi-component molecular complex salt of Mn(II) comprising cationic [Mn(H2O)6]²⁺ and anionic [Mn(2,3-PDCH)3]⁻complex moieties. The uncoordinated 2-Mepy and 4-NO2bz moieties of 1 are involved in lone-pair (l.p)-π and C–H⋯π interactions which stabilize the layered assembly of the compound. The crystal structure of compound 2 has been previously reported. However, we have explored the unusual enclathration of complex cationic moieties within the supramolecular host cavities formed by the molecular assembly of complex anionic moieties. The supramolecular assemblies obtained in the crystal structure have been further studied theoretically using DFT calculations, quantum theory of atoms-in-molecules (QTAIM) and non-covalent interaction plot (NCI plot) computational tools. Theoretical studies reveal that the combination of π-staking interactions (l.p-π, π-π and C–H···π) have more structure-guiding roles compared to the H-bonds. The large binding energy of π-stacking interactions in 2 is due to the antiparallel orientation of aromatic rings and their coordination to the metal centers, thereby increasing the contribution of the dipole–dipole interactions.
... The tentative assignment of vibrational bands of infrared and Raman spectra (Fig. 5, Table 4) is based on the literature data for vibrations of the FeOFe group [7] and the vibrations of the bridging sulfato ligands in 13 [35]. The asymmetric stretching vibration of the FeOFe group appears as a shoulder at ≈770 cm −1 in the IR spectrum, which is absent in the spectrum of 2,2′-bipyridine. ...
A new iron(III) sulfato complex [Fe2(bpy)2(H2O)2(µ-O)(µ-SO4)2]·3H2O has been prepared from iron(II) chloride by using potassium peroxydisulfate being the oxidation agent and the source of sulfato ligands as well. The compound has been characterized by infrared, Raman and Mössbauer spectroscopies. X-ray structure analysis confirmed the presence of the Fe(III)–O–Fe(III) core in the complex. Both sulfato groups are bonded in the form of bridged bis(monodentate) ligands. The coordination polyhedra about the central atoms are completed by 2,2′-bipyridine and water molecules, forming thus distorted octahedra. A thorough comparison of bonding parameters of all dinuclear oxido-bridged sulfato complexes of iron(III) that have been solved by X-ray structure analysis revealed several strong correlations between these parameters and bonding mode of sulfato ligands. The characteristic vibrational bands of the FeOFe group has been observed at 770 cm⁻¹ (IR) for νas(FeOFe) and at 513 cm⁻¹ (IR) and 520 cm⁻¹ (Raman) for νs(FeOFe). The assignment of characteristic bands was corroborated by DFT calculation. The isomer shift values obtained in Mössbauer spectra indicate high-spin Fe³⁺, while the large quadrupole splitting is characteristic of oxygen bridged Fe³⁺ ions.
... Fig. S9, Supplementary material) and the literature concerning vibrational manifestation of the involved inorganic anions[54][55][56][57][58]. Following the previously published assignment of vibrational spectra of the 2-Amp molecule[20], the formation of the 2-Amp(1+) cation in solution was studied using Raman spectroscopyseeFig. ...
This study aimed primarily at completing and extending the characterization of the crystallographic, spectroscopic and optical properties of polar, biaxial, optically negative 2-aminopyrimidinium(1+) hydrogen phosphite. Besides the redetermination of the low-temperature crystal structure (space group P21), high-quality single crystals of this salt were grown from an aqueous solution, and their optical properties were studied. The determination of the refractive indices in the wavelength range of 435-1083 nm showed anomalous dispersion of the refractive indices, resulting in a point of uniaxiality. The crystal allows phase matching for collinear second harmonic generation (SHG) processes of both type I and type II in a broad wavelength range. SHG properties were studied for powdered size-fractioned samples and oriented single-crystal cuts. The optical damage threshold experiments confirmed excellent optical resistance - at least 220 TWm-2 and 70 TWm-2 for 800 and 1000 nm irradiation, respectively. The low-temperature crystallographic study was also extended for three monoclinic salts of 2-aminopyrimidine and sulfuric acid - i.e. bis(2-aminopyrimidinium(1+) sulfate monohydrate (space group P21/n) and two polymorphs of 2-aminopyrimidinium(1+) hydrogen sulfate (both with space group P21/c). The vibrational spectra of all title compounds were assigned using single-molecule quantum chemical computations (including Potential Energy Distribution analysis) in combination with the nuclear site group analysis. Spectroscopic results concerning sulfates of 2-aminopyrimidine provided valuable reference materials for the vibrational spectroscopic study and also addressed the question of their polymorphism. An optimal computational approach employing solid-state DFT calculations has also been sought to model the vibrational spectra of 2-aminopyrimidinium (1+) hydrogen phosphite crystals.
... All four Cu (II) complexes of NO3 (Paul, 1984;Nakamoto, 1978) showed bands at 1360,1380,1320,1360cm -1 and 840 (860 for L2) cm -1 ligands L1 to L4 respectively. Acetate complexes show bands around 1610-1620cm -1 and 1310-1340cm -1 for L1 to L4 Cu (II) complexes for the corresponding acetate group (Deacon, 1980). ...
This study presents the synthesis and characterization of four organic ligands: malon-di-anilide oxime (HINMAO), malon-di-(p-toluidide) oxime (HINM-p-TO), malon-di-(o-anisidide) oxime (HINM-o-ANISO), and malon-di-(p-anisidide) oxime (HINM-p-ANISO). Their molecular formulas were confirmed through elemental analysis, infrared (IR), and electronic spectral studies. These ligands were used to prepare solid-state metal complexes with Cu (II) acetate, Cu (II) nitrate, UO₂(II) nitrate, Mn (II) chloride, and Pb (II) acetate, which were further characterized for their structural and magnetic properties. The Cu (II) complexes exhibited subnormal magnetic moments following the Bleaney-Bowers equation, with ESR spectra (g = 2.015 – 2.150) confirming square planar geometry and oxygen-bridged dimeric structures. The UO₂(II) complexes displayed low magnetic moments due to ligand field effects and adopted pentagonal bipyramidal geometry, as confirmed by electronic and infrared spectral analysis. The Mn (II) complexes exhibited magnetic moments of 5.8–5.9 BM, indicative of tetrahedral coordination. The Pb (II) complexes were found to be diamagnetic, showing a single electronic absorption band at ~400 nm, suggesting a tetrahedral structure. All synthesized metal complexes were insoluble in water and most organic solvents, suggesting their polymeric nature. These findings provide valuable insights into the coordination chemistry of these novel ligands and their potential applications in materials science and catalysis.
... The blue spectrum displays additional peaks compared to the first two, probably due to the presence of a second protonated organic molecule in the synthesized material. To better interpret these spectra, peaks were assigned based on previous studies [11,[36][37][38][39][40]. FT-IR spectra reveal two bands corresponding to the asymmetric and symmetric elongation of the N amide -H bond at 3303 and 3180 cm− 1 , respectively. ...
A novel compound, (C6H5N2)(C6H7N2O)[CoCl4], crystallizes in the non‐centrosymmetric space group (Cc). It displays a unique arrangement resulting from the presence of two distinct monoprotonated organic molecules (C6H5N2)⁺ and (C6H7N2O)⁺, as well as isolated tetrachlorocobaltate (II). The cohesion between these organic and inorganic edifices is ensured by the presence of hydrogen bonds and π‐π interactions, which are analyzed in more detail by Hirshfeld surface analysis. This paper also presents experimental results from FT‐IR and Raman spectroscopy, discussing the vibrational modes of the different groups present in this compound. Additionally, the article includes a theoretical analysis using density functional theory DFT calculations.
The optical study, by UV–Visible absorption, shows a wide band gap exceeding 2.00 eV. The significant β value indicates that the new compound is a promising material for non‐linear optical devices. When excited with 375 nm light, the system exhibits bright yellow and orange emissions in aggregated states, which effectively serve as building blocks of white light. This emission, located approximately in the saturated white light region, corresponds to CIE chromaticity coordinates of (0.3978, 0.4178).
... The main characteristic vibration bands of complex β-diketonate compounds are located in the region of 1500-1700 cm -1 , which correspond to stretching vibrations of carbonyl groups and multiple CC bonds of the dicarbonyl fragment [28,29]. ...
The study presents a comparative analysis of the spectral-luminescent properties of synthesized β-diketonate coordination complexes of ytterbium with the following ligands: 2,7-dimethyl-oct-1-en-3,5-dione, 2,6-dimethyl-hept-1-en-3,5-dione, 2-methyl-5-phenylpent-1-en-3,5-dione, 2-methyl-5-biphenylpent-1-en-3,5-dione. In addition, research was conducted on polymeric compounds based on these complexes and their phenanthroline mixed-ligand derivatives. Using a range of physicochemical analysis methods, it was established that the structure of the elementary unit during polymerization, as well as the coordination sphere of the complexes during the formation of mixed-ligand compounds, does not undergo significant changes compared to the initial β-diketonate molecules. Thermal analysis revealed a significant increase in the decomposition onset temperature of mixed-ligand and metallopolymeric compounds compared to their monomeric counterparts. Luminescence spectroscopy demonstrated that the studied samples exhibit luminescence in the infrared (IR) range. A comparative analysis of the integral luminescence intensities of ytterbium complexes identified key factors influencing the emission characteristics. Primarily, the synthesis of mixed-ligand complexes with phenanthroline mitigates the negative effects of one of the most well-known quenching factors: OH-oscillators of water molecules, which complement the coordination sphere of monomeric ytterbium complexes. Furthermore, the synthesis of polymeric compounds based on β-diketonate complexes positively affects the luminescence, potentially due to a reduction in concentration quenching, as in polymers, the emitting centers are uniformly distributed along the macromolecular chain. Besides directly enhancing luminescent properties, this approach aims to address the practical application of the synthesized compounds since polymers are significantly easier to process and can form film materials. Based on the conducted research, the following luminescence intensity dependencies were established: dmod>dmhpd>mbphpd>mphpd, as well as monomer-polymer-MLC-MLC polymer. As seen from the presented data, the best emission characteristics are exhibited by ytterbium mixed-ligand mono- and polycomplexes with β-diketones containing alkyl substituents.
... Many applications in coordination and organometallic chemistry have made use of transition metal complexes with soft or hard donor groups [1]. Coordinated ligand model systems play a vital role in several fields, including catalytic, optical display technologies, and analytical chemistry [2][3][4][5]. One of the most important points influencing the final geometry of complexes is the suitable selection of metals, especially from d-bock and ligands. ...
Two new mononuclear heteroleptic complexes (a) Cu (II) complex using 3,5‐dihydroxybenzoic acid and tetramethylethylenediamine and (b) Ni (II) complex with benzoic acid and tetramethylethylenediamine were synthesized and characterized spectroscopically. Moreover, the compounds were characterized by single‐crystal X‐ray diffraction (SC‐XRD), which showed that the benzoate group chelated the metal center in the Cu (II) complex, whereas the non‐chelating response of the benzoate group was observed in the Ni (II) complex. A disordered octahedron geometry was found in both complexes according to SC‐XRD results. Furthermore, the supramolecular assembly was investigated by Hirshfeld surface analysis. DFT analysis was employed to investigate the electronic characteristics, assess charge transfer processes and examine the NLO properties of the synthesized Cu (II) and Ni (II) complexes. A band gap of 5.083 and 5.116 eV was observed for complexes of copper and nickel, respectively. The global reactivity results indicated that all complexes exhibited positive electron affinity values, implying their participation in charge transfer reactions. Notably, complex Cu (II) was identified as more reactive, while complex Ni (II) was found to be more stable. Both complexes showed absorption peaks in the UV region of the spectrum. Remarkably, the obtained compound Cu (II) demonstrated exceptional NLO characteristics, with a maximum linear polarizability <α> of 4.312 × 10⁻²³ esu and a second hyperpolarizability (γtotal) of 2.482 × 10⁻³⁵ a.u. when in an acetonitrile solution. These synthesized chromophores displayed remarkable NLO properties, primarily attributed to their reduced charge transport resistance. The findings from this NLO study could pave the way for researchers to explore novel NLO materials that hold promise for cutting‐edge applications in the modern era.
... All complexes exhibit C-F stretching band in the region 1000-1100cm -1 . The low frequency region of the spectra revealed the presence of medium intensity bands in the region 455-569cm -1 due to (M-O) and (M-N) vibrations [19]. All the IR data suggested that the metal was bonded to the Schiff bases through the phenolic oxygen and the imino nitrogen [20]. ...
In present paper, transition metal complexes derived from 2-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)
methylene amino) phenol were synthesized. The general composition of the complexes is [M (L)2 nH2O], where M=
Cu(II), Co(II), Ni(II), and n=2. The ligand acts as a bidentate ligand. The ligand was Characterized by Mass, IR, 1
H-NMR and 13C-NMR spectral studies. Complexes were characterized by elemental analysis, molar conductance,
magnetic susceptibility, Mass, 1
H-NMR, IR, UV/visible, spectral techniques and TGA studies.
... 401-439 cm⁻¹ aralığında görülen pikler, Pt-N (amin grubu etkileşimi) veya Pt-S (sülfür içeren bileşikler) ile ilişkili olabilir. Bu analiz neticesinde; nohuttaki fenolik bileşiklerin ve organik moleküllerin (protein, polisakkarit) metal ile etkileşime girdiği ve kompleksler oluşturduğu şeklinde yorumlanabilir [38,39]. ...
Platin Grubu Metaller (PGM), nadir bulunmaları ve kataliz, elektronik, yakıt hücreleri gibi alanlardaki kritik kullanımları nedeniyle önemli hammaddelerdir. Bu çalışmada, yeşil kimya yaklaşımıyla nohut özütü kullanılarak atık platin kaplama çözeltilerinden nano ölçekli platin geri kazanılmıştır. Platin çözeltisinin konsantrasyonun 125 ppm olduğu ICP-OES ile doğrulanmış ve farklı oranlarda nohut filiz özütü ve saf su ilave edilerek 24 saat reaksiyona bırakılmıştır. Ardından, filtrasyon sonrası UV-VIS spektrofotometri, zeta potansiyeli ve nano parçacık boyutu analizleri gerçekleştirilmiştir. UV-VIS sonuçları, PtCl₆²⁻’nin indirgenmesiyle 220 nm’de Pt⁰ absorpsiyon pikini doğrulamıştır. Zeta potansiyeli analizleri, parçacık konsantrasyonunun artışıyla birlikte potansiyelin düştüğünü ve nanopartiküllerin topaklanma eğiliminde olduğunu göstermiştir. SEM-EDS analizleri, parçacıkların küresel formda ve yaklaşık 30 nm boyutunda olduğunu ortaya koymuştur. FTIR spektroskopisi, fenolik ve karbonil gruplarının platine bağlandığını doğrulamıştır. Sonuçlar, biyobazlı indirgeme yöntemlerinin sürdürülebilir nano platin sentezi için etkili bir alternatif sunduğunu göstermektedir. Bu çalışma, yeşil kimya ve geri dönüşüm yöntemleri, PGM geri kazanımı için umut vadeden bir yaklaşım olduğunu göstermektedir.
... cm -1 can be assigned to the stretching vibration of the Zn-N group, and a band in the region of 433.2-507.2 cm -1 can be assigned to the stretching vibration of the Zn-O bonds [16]. ...
Three zinc (II) complexes of the amino acid Schiff base were synthesized by the one step reaction of amino acid with aldehyde, zinc acetate in solvent-free. The compositions and structures of the complexes were characterized by elemental analyses, FTIR, XRD, TG-DSC. The compositions of the complexes are ZnL•nH2O (L = sal-leu, sal-ala, van-leu; sal = salicylaldehyde; van = vanillic aldehyde; leu = leucine; ala = alanine). Infrared spectra of the complexes indicate that the Schiff base ligands are formed, zinc ion is coordinated to the Schiff base ligands as terdentate with O, O and N donors from carboxylic, phenolic and imino groups respectively, the coordination numbers of zinc ion is four. The possible pyrolysis reactions in the thermal decomposition process of the complexes, the experimental and calculated percentage mass loss are also given.
... Electronic spectra were useless due to the impossibility of d-d transitions, but the magnetic susceptibility of the Au +3 complex revealed the presence of diamagnetic moments and The Auric ion complex's electronic spectra showed two peaks at 434, and 600 nm that correspond to the 1 A1g→ 1 B1g and 1 A1g→ 1 A2g,respectively. This conclusion really agrees well with other studies on square planer geometry [20][21][22].The measured molar conductivity are (13.76, 9.21, 14.8 and 11.42) Ʌm (S.cm 2 .mol ...
The researchers aimed to develop a novel azo ligand as a continuation of their prior investigations. They synthesized the ligand, identified as N-(3-acetyl-2-hydroxy-5-methyl-phenyl)N-(4-carboxy-cyclohexylmethyl)-diazonium salt, and proceeded to synthesize a series of chelate complexes with Ru +3 , Rh +3 , Pd +2 , Pt +4 , and Au +3 ions. Characterization of these compounds includes advanced techniques including elemental analysis, UV-Vis spectroscopy, FT-IR spectroscopy, LC-Mass spectrometry, NMR spectroscopy plus thermal analysis, conductivity measurements, magnetic quantification using TGA and DSC are used to further clarify the and synthesized complexes have been developed.Analysis revealed that the complexes formed with Ru +3 , Rh +3 , Pt +4 , and Au +3 ions exhibited a 1:1 metal-ligand ratio and displayed octahedral geometry, with the exception of Pd +2 and Au complexes, which displayed square planar geometry. The ligand itself was found to be tridentate (NOO) in nature. The thermal decomposition of some compounds using the TGA and DSC was studied and mass spectroscopy. The dye and the complexes were determined their ability to inhibit free radicals by measuring their ability as antioxidants using DPPH as a free radical and ascorbic acid as a standard substance, and determining the value of IC50, as it was found that the ligand had a high ability to inhibit free radicals, and the ability to inhibit the complexes varied according to the value of IC50.The results are as follows (Ascorbic acid ˃ Au-complex ˃ Pt-complex ˃ Pd-complex ˃ LH ˃Ru-complex
... Fig 2 shows the infrared data for minocycline and its Cu (II) chelate. The stretching vibrations of (O-H), (N-H) and (C-H) aromatic molecules are responsible for the vibrational bands in the 3400-2800 cm -1 range observed in the infrared spectrum of the free ligand minocycline (Nakamoto., 1986). Chelation with the Cu (II) metal ion causes some shifts in wave numbers because of the change in the distribution of electronic density for the aromatic rings and the major attached functional groups. ...
Background: Minocycline (Mino) has a longer half-life than 1st-generation tetracycline. A trace element, Cu is necessary for the operation of numerous cellular enzymes as it is an essential component in free radical scavenging and enzyme redox chemistry. Methods: FT-IR, electronic spectra (UV), X-ray diffraction (XRD), thermogravimetric analysis, SEM, TEM were used to characterize the novel complex (Mino/Cu). The molar conductance value validates that the Cu (II) complex is not electrolytic. Mino is chelated with Cu (II) via (C=O) ketonic oxygen atoms and (OH) groups based on spectral data. Cu (II)’s complex surface morphology showed up as tiny rectangular projections, according to SEM analysis. TEM showed that the Cu (II) chelate formed black spots with particle sizes between 9 and 23 nm. Cytotoxicity against MCF-7 breast cancer cell proliferation and antibacterial activity against three resistant strains (Salmonella enteritidis, Klebsiella pneumonia and Bacillus subtilis) are estimated in vitro along with the scavenging capabilities of ORAC free radicals. Result: The study found that the Mino/Cu complex had strong anticancer properties, inhibiting MCF-7 proliferation growth and cancer cell viability by 57.54 µg/ml at concentrations of 100 ug/ml. It also showed strong antibacterial properties against S.enteritidis, K. pneumonia and B.subtilis at low concentrations. The complex also demonstrated high antioxidant activity with ORAC activity 1581 (µM Trolox eq/ml).
... UV-Vis analysis was carried towards optical properties. The present study LAMDLM single crytals and analysis its Nonlinear optical properties [7][8][9][10][11]. The grown crystals was subjected into various studies such as ...
Single crystal of L-Asparagine monohydrate admixtured with DL- malic acid (LAMDLM) has been grown by slow evaporation solution growth technique by using deionized water as solvent at room temperature. Optically clear single crystals having dimensions up to 4mm x 3mm x 1mm. Powder X-ray diffraction analysis reveals that LAMDLM crystal crystallizes by Orthorhombic system with the space group of P212121. The physical phase of the product was confirmed by powder x-ray diffraction analysis. The Fourier Transform Infrared (FTIR) spectra of all grown crystals have been recorded in the wavenumber range of 500-4500 cm-1 by KBr pellet technique and the associated functional groups of the grown crystals. The optical parameters, such as optical band gap energy, transparency (%) and absorbance were calculated parameters using UV-Vis Transmittance data in the spectral range of wavelength 190-1100 nm. The Multilayer plate-like pattern of growth was observed by Scanning electron microscopy. The presence of L-Asparagine malate was confirmed by EDAX analysis. Incorporation of Various elements present in L-Asparagine malate in the crystal was confirmed by Energy Dispersive X-ray Analysis (EDX). The laser damage threshold for the grown crystal was measured using Nd:YAG Laser. The laser damage threshold value was found to be 3.6 GW/cm2.
... FTIR spectra have been recorded to identify the conceivable biomolecules involved in the capping and stabilizing process during the bio-synthesis of ZnO NPs. The chemical composition, structure of the crystal and morphology of the materials are deciding factors for the presence of FTIR peaks and their positions [48]. Table 5 list out the characteristic IR peaks and their corresponding functional groups present in the zinc oxide nanoparticles synthesized from Prosopis juliflora bark extract and Cordia dichotoma leaf extract observed from FTIR spectra at room temperature. ...
Green synthesis of zinc oxide nanoparticles was carried out using Prosopis juliflora bark extract and Cordia dichotoma leaf extract with zinc acetate precursor in the presence of 2 M NaOH solution. The prepared zinc oxide nanoparticles were characterized by Powder X-ray diffraction (PXRD), UV-visible absorption spectroscopy, Fourier transform infrared spectroscopy (FTIR), Photoluminescence spectroscopy (PL) to study its structural and optical properties. X-ray diffraction studies confirmed the hexagonal wurtzite phase of the samples with an average crystallite size calculated using Scherrer equation were 38.22 nm and 29.95 nm for Prosopis juliflora mediated zinc oxide (PJZ) and Cordia dichotoma mediated zinc oxide (CDZ) NPs respectively. Williamson-Hall modified form of uniform deformation model (UDM), uniform stress deformation model (USDM) and uniform deformation energy-density model (UDEDM) were carried out to determine crystallite size and micro-strain of ZnO nanomaterials. Tauc’s plot method revealed an energy gap value of 2.86 eV for PJZ sample and 2.95 eV for CDZ sample due to quantum confinement effect. FTIR spectra of the samples were recorded to ascertain the biomolecules involved in the green synthesis. PL spectra showed a strong UV emission peak around 370 nm and a visible broad green emission band at 554 nm which is due to the presence of singly ionized oxygen vacancies. An effective green method to prepare zinc oxide nanomaterials with the efficient antioxidant potential is reported in this study. The current study has also demonstrated that the small particle size of ZnO NPs is responsible for significant antibacterial activity against both gram-positive and gram-negative bacteria.
... The ν C=N band shifts 10-25 cm −1 to lower frequency in all three Pd complexes. This [24,25,[27][28][29]. The IR data of these Pd complexes are listed in Table S4 ( Figure 6). ...
Palladium complexes of the novel halogenated Schiff bases bearing chromone and antipyrine heterocyclic rings were conventionally synthesized. Their structural characterization was done by mass spectrometry, FT‐IR, electronic, and ¹H‐NMR spectral techniques. The metal complex stoichiometry was found to be 1:1 having a square planar geometry. The intercalative binding between CT‐DNA and the novel palladium complexes was investigated by using absorption, emission spectroscopy, and viscometry. These complexes also revealed antibacterial activity against Escherichia coli and Staphylococcus aureus and antifungal activity against Macrophomena species.
... Kotoite crystal structure contains triangular BO 3 groups. The frequencies of the normal vibrations for an isolated [BO 3 ] 3− anion are 672, 765, 939 and 1260 cm −1 [46]. The correlation analysis presented in [23] shows that each Raman-active vibration of the free BO 3 group generates a Raman doublet within the crystal, either (A g +B 1g ) or (B 2g +B 3g ), but each IRactive vibration transforms into either a doublet (B 2u +B 3u ) or a singlet B 1u in the infrared spectrum of the crystal. ...
Funding: The research was funded by the Russian Science Foundation and Krasnoyarsk Regional Foundation of Science according to the research project "Structural, magnetic properties and crystal lattice dynamics of nickel-cobalt oxyborates with kotoite and ludwigite structures" (project no. 23-12-20012). ABSTRACT Nickel-cobalt oxyborates (Ni,Co) 3 B 2 O 6 with a kotoite-type orthorhombic structure are known as antiferromagnetic materials and are of interest for optical applications and as promising battery anode materials. We report and analyze the results of experimental low temperature Raman studies of the phonon spectra measured in some polarizations of the Ni 3 B 2 O 6 , Ni 2.81 Co 0.19 B 2 O 6 , Ni 2.4 Co 0.6 B 2 O 6 , Ni 2.07 Co 0.93 B 2 O 6 , and Co 3 B 2 O 6 crystals. Simulations of the density functional theory of Raman spectra of the Ni 3 B 2 O 6 and Co 3 B 2 O 6 crystals have been performed and analyzed. The vibrational modes of the Ni 3 B 2 O 6 and Co 3 B 2 O 6 crystals were interpreted. Low-wavenumber modes in the Raman spectra are associated with Ni and Co atoms vibrations accompanying BO 3 group deformations. Clear evidence of spin-phonon interaction was found for some specific phonons below T N. The anomalies in the behavior of these phonon modes as a function of the nickel concentration in the crystal have been presented. The position and intensity of the Raman modes decrease when the Ni atoms are replaced by Co atoms.
... The vibrational range associated with the -C=N-group shifted to 1615, 1603, 1613, and 1609 cm −1 in the FTIR spectra of complexes. This illustrates the coordination of nitrogen-iminic group with the Co(II), Ni(II), Cu(II), and Zn(II) ions, respectively [23]. Using DMSO-d6 as a solvent, 1 H-NMR and 13 C-NMR spectra were employed to analyze both unmodified and upgraded PVC films. ...
... The 600 to 340 wavenumber (cm -1 ) region identities are difficult to determine and thus are broadly assigned; Zirconia, C-C deformations and O-P-O deformations are all known to show absorbance bands in this region. [3][4][5][6][7] C K-edge Near Edge X-ray Absorption Fine Structure (NEXAFS) Figure S6. C K-edge NEXAFS of ZrPTP at irradiation doses of 0 and 2 MGy. Figure S6 depicts the C K-edge NEXAFS of ZrPTP at radiation doses of 0 and 2 MGy. ...
Minor actinide (MA) selective materials that are resistant to radiation are necessary to enable separation of MA from lanthanides in nuclear wastes. Zirconium (IV) phosphonates (ZrPs) are a class of...
Biomimetic synthesis via MOF-based catalysts to construct a Z-scheme heterojunction provides opportunities for enhancement of visible light photocatalytic CO 2 reduction efficiency.
Nesse sentido, o objetivo deste trabalho foi avaliar o lodo da ETA da cidade de Balsas-MA como alternativa de seu aproveitamento incorporado à argamassa como agregado miúdo para uso na construção civil. Para isso, aplicou-se primeiramente o método de observação não participante para diagnóstico do local. Posteriormente, realizou-se coleta do material, o qual foi devidamente processado sob condições térmicas para posterior caracterização microbiológica, química por espectroscopia vibracional na região do infravermelho, mineralógica por difração de raios-X, física por dimensões específicas e modulo de finura. Corpos de prova com incorporação do lodo em diferentes porcentagens na argamassa também foram produzidos a analisadas as resistências após 7, 14 e 28 dias. Como resultado, os espectros no infravermelho e os difratogramas indicam que o lodo in natura da ETA de Balsas é predominantemente constituído por matéria orgânica e inorgânica como óxidos de ferro, cálcio e silício. A adição de 5% do lodo seco a 110°C resulta em resistência satisfatória, mas o lodo incinerado apresentou desempenho superior em comparação ao traço de referência, indicando a viabilidade de uso desse resíduo na construção civil, contribuindo com a sustentabilidade nesse setor.
The reaction of hexamethylenetetramine (CH2)6N4 with sparingly soluble (1-hydroxyethylidene)diphosphonates M(H2L)•2H2O (M = Mn, Co, Zn; H4L is (1-hydroxyethylidene)diphosphonic acid) afforded water-soluble compounds of the composition [(CH2)6N4H2]ML•2H2O (M = Mn (1), Co (2), Zn (3)). Manganese derivative 1 lost its solubility during storage, whereas the cobalt and zinc compounds retained it. The tetrafunctional base hexamethylenetetramine reacts with tetrafunctional (1-hydroxyethylidene)-diphosphonic acid H4L in methanol to form hexamethylenetetraminium (1-hydroxyethylidene)diphosphonate dihydrate [(CH2)6N4H]+(H3L)•2H2O (4). When heated in an aqueous methanol medium, compound 4 dissociates to acid H4L and base (CH2)6N4, hexamethylenetetramine reacts with water to produce ammonia and formaldehyde, and the acid H4L and ammonia generate diammonium (1-hydroxyethylidene)diphosphonate (NH4)2H2L. The heating in an inert atmosphere causes the extensive decomposition of compound 4 giving a non-volatile water-soluble residue and a series of volatile organic compounds, such as amines, amides, amino alcohols, and amino acids. The obtained compounds were studied by IR spectroscopy, elemental analysis, powder X-ray diffraction, and thermogravimetric analysis. The molecular structure of diammonium (1-hydroxyethylidene)diphosphonate (NH4)2H2L was determined.
Triazolylidenes derived from readily accessible triazoles are useful ligands for coordination chemistry and catalysis. This work describes the synthesis of Group 11 metal complexes of new ferrocenyl-substituted triazolylidene ligands in...
SYNTHESIS POLYDENTATE SCHIFF BASES AND PREPARATION
COORDINATION COMPOUNDS WITH SOME TRANSITION METALS
(M=Ni2+, Zn2+, Cd2+ and Cu2+), CHARACTERIZATION OF THEIR STRUCTURES
AND INVESTIGATION OF THEIR THERMAL BEHAVIORS
We report preparation, crystal structures, and non-covalent interaction analysis for a series of ammonium – 18-crown-6 complex salts with tetrahedral monoanions, [(NH4)(18C6)]+[TX4]–nH2O, TX4- = BF4- (n = 0), TcO4- (n...
The integration of photochromism and photomagnetism is of great significance for developing photo-responsive multifunctional materials. Herein, we successfully synthesized four cyanido-bridged bimetallic frameworks formulated as (MVII)0.5[MIIIMII(CN)6]·(H2O)n (i.e., FeMn, FeZn, CrMn,...
The main goal of our research was to examine (1S, 4R, 5R)-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-((S)-1-phenylethyl)-2-azabicyclo[3.2.1]octane (L) and its complex-forming abilities with platinum(II) ions. Herein, we present three new square planar platinum(II) complexes of...
With the increasing use of polylactic acid (PLA), more attention is turning to its post‐treatment. Current methods such as natural decomposition, composting, and incineration are limited by significant carbon dioxide emissions and resource waste. Here, an efficient electrocatalytic conversion approach is presented to transform PLA waste into high‐value chemicals, particularly potassium acetate (AA‐K). By combining experimental and theoretical calculation, a high‐performance catalyst Ni(Co)OOH is developed, which exhibits a current density of 403 mA cm⁻² at 1.40 V (vs RHE) with 96% Faraday efficiency for AA‐K in the electrooxidation of potassium lactate (LA‐K, the product of PLA degradation in KOH). Through in situ spectroscopy techniques and density functional theory calculations, the structural regulation of the catalyst, and reaction pathways of the electrooxidation are elucidated. Further experiments demonstrate the superior catalytic performance of the Ni(Co)OOH catalyst in an industrial‐scale tandem system. In 2 h of electrolysis, 320 g of PLA waste produces 232 L of H₂, yielding 1200 g of AA‐K with 97% purity after neutralization and drying. The system demonstrates high conversion efficiency (approaching 97%) for diverse real PLA waste forms, including powder, cups, fibers, and cloth. This research provides a scalable and sustainable approach for PLA waste upcycling.
A series of porous silica materials coated with honeycomb-like magnesium silicate were prepared under hydrothermal conditions, using natural one-dimensional porous attapulgite as the template and a silicon source with different Mg/Si ratios, by adjusting the amount of MgCl2⋅6H2O and the attapulgite precursor and regulating pH. The influence of the Mg/Si ratios was carefully investigated on morphology, pore structure, and related adsorption actions toward methylene blue. The Langmuir isotherm and pseudo-second-order kinetic models were used to explain the adsorption behavior of methylene blue. The synthesized composite with the lowest magnesium content displayed the highest removal capability of 166.67 mg/g for methylene blue, with a zeta potential of −18.18 mV, a specific surface area of 310.4 m2/g, and an average pore size of 3.7 nm. The removal result was the synergetic adsorption between porous magnesium silicate grown on the surface and the rest of the silica, further indicating that the attapulgite is available as a silicon source and a rod-shaped template for magnesium silicate.
A new mixed-ligand complex {[Со(С4Н4О4)2Ру]2H2O}n was synthesized via the interaction of equimolar amounts of cobalt nitrate and sodium succinate in the presence of pyridine at pH 5.5–6.0. The complex was investigated by X-ray structure analysis, elemental analysis, UV/VIS and IR spectroscopies, and differential thermal analysis. The complex is a one-dimensional coordination polymer and crystallizes in the orthorhombic space group Pbca with unit cell parameters a=11.8945 Å, b=8.9064 Å, c=15.1116 Å, ===900. The atom of cobalt has a slightly distorted octahedral N2O4 environment and forms Co–N bonds with two molecules of pyridine and Co–O bonds with the carboxyl groups of two symmetric succinic acid molecules. The coordination number Co(II) is supplemented up to 6 by two water molecules, which are located in the axial plane of the coordination polyhedron. Due to the monodentate coordination of two symmetrically independent carboxylate oxygen atoms of one succinic acid molecule, one-dimensional coordination polymer chains are formed. Polymer chains in the crystal are united by intermolecular hydrogen bonds, which leads to the formation of layers packed in the crystal parallel to the (001) plane. Hirschfeld surface analysis and two-dimensional fingerprint plots were used to analyze the intermolecular interactions present in the crystal.
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