Elies Molins

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• Prof. Dr.
• Head of Department at Institute of Materials Science of Barcelona

Imidazoline I2 receptors (I2-IR) are untapped therapeutic targets lacking a structural description. Although the levels of I2-IR are dysregulated in a plethora of illnesses, the arsenal of ligands that can modulate I2-IR is limited. In this framework, we have reported several new structural families embodying the iminophosphonate functional group t...

A multidisciplinary platform is presented to address aryl hydrocarbon receptor (AhR) modulation. A rewired Yonemitsu multicomponent reaction with indole 2-carboxaldehydes and nucleophilic species was designed to access a family of 6-substituted indolocarbazoles. The conformational behavior of these compounds was examined to rationalize their axial...

Imidazoline I2 receptors (I2-IRs) are altered in Alzheimer’s disease (AD) patients and are associated with analgesia. I2-IRs are not structurally described, and their pharmacological characterization relies on their modulation by highly affine ligands. Herein, we describe the synthesis of (3-phenylcarbamoyl-3,4-dihydro-2H-pyrrol-2-yl)phosphonates e...

The cost-effective synthesis of a series of metal propionate powders (copper, yttrium, barium, samarium, gadolinium, and ytterbium) is developed through single chemical reactions resulting in five novel crystalline forms. These complexes are valuable precursors for the preparation of epitaxial REBa2Cu3O7-δ (REBCO) superconducting films (here, RE =...

Photoswitches capable of absorbing light, storing it and releasing it on-demand as heat are known as molecular solar thermal systems. Compared to the commonly investigated photochromes in this field, azobenzenes...

Alkene difunctionalization is a very attractive tool in synthetic organic chemistry. Herein, we disclose an operationally and practically simple method to access 2-hydroxytrifluoroethylacetophenones from styrene derivatives via photoredox catalysis. This light-mediated transformation promotes the generation of the 1-hydroxy-2,2,2-trifluoroethyl car...

Photocatalysis based on titanium dioxide (TiO2) has become a promising method to remediate industrial and municipal effluents in an environmentally friendly manner. However, the efficiency of TiO2 is hampered by problems such as rapid electron–hole recombination and limited solar spectrum absorption. Furthermore, the sensitization of TiO2 through h...

Chemical-based interventions are mostly used to control insects that are harmful to human health and agriculture or that simply cause a nuisance. An overreliance on these insecticides however raises concerns for the environment, human health, and the development of resistance, not only in the target species. As such, there is a critical need for th...

This work provides new halogen-bonded cocrystals of methylxanthines with 1,4-diiodotetrafluorobenzene. Their crystal structures, thermal and photophysical properties combined with DFT calculations were studied.

In this contribution, a series of copper(II) discrete and polymeric coordination compounds, namely [Cu3L2(aze)2]n∙nH2O (1∙nH2O), [CuL2]∙H2O (2∙H2O) and [CuL(H2O)(Haze)]∙H2O (3∙H2O) were fabricated from (pyridin-2-yl)methylenenicotinohydrazide (HL) and azelaic acid (H2aze), using...

A series of four novel heteroleptic Cu(I) complexes, bearing bis(1H-indazol-1-yl)methane analogues as N,N ligands and DPEPhos as the P,P ligand, were synthesised in high yields under mild conditions and characterised by spectroscopic and spectrometric techniques. In addition, the position of the carboxymethyl substituent in the complexes and its ef...

The application of halogen bonding in pharmaceutical chemistry remains a challenge. In this work, novel halogen-bonded cocrystals based on azole antifungal active pharmaceutical ingredients (APIs) and the ditopic molecule 1,4-diiodotetrafluorobenzene are reported. Their crystal structural features, spectroscopic properties, and thermal stability we...

Ferro-ferri-katophorite (IMA2016–008), ideally Na(NaCa)(Fe ²⁺ 4 Fe ³⁺ )(Si 7 Al)O 22 (OH) 2 , was found as xenocrysts up to 3 cm long and replacement rims around aegirine–augite in silicocarbonatite dykes cropping out in the Sierra de Maz, La Rioja province, NW Argentina. Ferro-ferri-katophorite is black and has vitreous lustre and a pale green str...

Two novel organic-inorganic decavanadate materials with protonated amines were prepared from acidified aqueous solution and characterized by single crystal X-Ray diffraction, thermogravimetric analysis and IR spectroscopy. (C6N2H9)4[H2V10O28]•4H2O (I) and (C7H9NF)4[H2V10O28]•2H2O (II), were isolated in single-crystal form. For both compounds, the c...

Six new multicomponent solids of 9-ethyladenine and oxalic acid have been detected and characterized. The salt screening has been performed by mechanochemical and solvent crystallization processes. Single crystals of the anhydrous salts in 1:1 and 2:1 nucleobase:coformer molar ratio were obtained by solution crystallization and elucidated by single...

This contribution describes an updated synthetic route along with full characterization of [{CpFe}2-p-Ph'] with p-Ph': p-Bis{2,3,4,5-tetramethylcyclopentadienyl}benzene). The complex reported here was characterized by 1 H and 13 C NMR, elemental analysis, the X-ray crystal structure, and Mössbauer spectroscopy. From the crystallographic analysis, i...

A new series of 13 pyrazole-derivative compounds with potential antifungal activity were synthetized with good yields. The series have the (E)-2-((1-(R)-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl)phenol general structure and were characterized by means of X-ray diffraction, UV–Vis, FTIR, ¹H-NMR, ¹³C-NMR, and two-dimensional NMR experiments. This experim...

Among non-covalent interactions, halogen bonding is emerging as a new powerful tool for supramolecular self-assembly. Here, along with a green and effective method, we report three new halogen-bonded cocrystals containing uracil derivatives and 1,2,4,5-tetrafluoro-3,6-diiodobenzene as X-bond donor coformer. These multicomponent solids were prepared...

In this work, we describe the successful preparation of a series of cocrystals of the modified nucleobase 1-ethyluracil with different coformers in a 1:1 or 2:1 (nucleobase:coformer) ratio including urea (URE) or some compounds containing carboxylic and hydroxyl groups such as L-malic acid (MAL), L-tartaric acid (TAR), 2-hydroxybenzoic acid (SAL),...

Recent findings unveil the pharmacological modulation of imidazoline I2 receptors (I2-IR) as a novel strategy to face unmet medical neurodegenerative diseases. In this work, we report the chemical characterization, three-dimensional quantitative structure-activity relationship (3D-QSAR) and ADMET in silico of a family of benzofuranyl-2-imidazoles t...

Gastric cancer is one of the deadliest cancers in modern societies, so there is a high level of interest in discovering new drugs for this malignancy. Previously, we demonstrated the ability of tryptophanol-derived polycyclic compounds to activate the tumor suppressor protein p53, a relevant therapeutic target in cancer. In this work, we developed...

A synthetic route for the enantioselective construction of the tetracyclic spiro[indolizidine-1,3′-oxindole] framework present in a large number of oxindole alkaloids, with a cis H-3/H-15 stereochemistry, a functionalized two-carbon substituent at C-15, and an E-ethylidene substituent at C-20, is reported. The key steps of the synthesis are the gen...

Lactose intolerance is a pathology caused by lactase enzyme deficiency, usually produced in the intestinal cells provoking symptoms as abdominal pain, bloating, diarrhoea, gas and nausea. Gaxilose, 4-O-β-D galactopyranosyl-D-xylose, is used as a diagnostic drug for a non-invasive method for hypolactasia diagnosis. To date, no definitive guide for i...

This contribution describes an updated synthetic route to 3,6-dihydro-as-indacene along with full characterization of all inter­mediates. The title compound is prepared by Mannich condensation of 2-methylfuran with formaldehyde and dimethylamine hydrochloride, quaternization of the resulting amine with methyl iodide, and conversion into the ammoniu...

Gold and silver nanoparticles were synthesized via mild alkoxide reduction of Ag⁺ and AuCl4⁻ in water, under alkaline conditions. Three non-toxic polyols (glycerin, β-cyclodextrin (βCD), and a polymer (of β-cyclodextrin)) were employed in each case as reducing and capping agent. TEM analysis revealed larger nanoparticles when glycerin was used, fol...

In this work we report extensive experimental and theoretical investigations on a new series of PbII coordination polymers exhibiting extended supramolecular architectures, namely [Pb2(LI)(NCS)4]n (1), [Pb(HLII)I2]n (2), [Pb(LIII)I]n (3) and...

We report the synthesis and theoretical study of two new colorimetric chemosensors with special selectivity and sensitivity to Ni2+ and Cu2+ ions over other metal cations in the CH3CN/H2O solution. Compounds (E)-4-((2-nitrophenyl)diazenyl)-N,N-bis(pyridin-2-ylmethyl)aniline (A) and (E)-4-((3-nitrophenyl)diazenyl)-N,N-bis(pyridin-2-ylmethyl)aniline...

The synthesis and characterization of the full family of 11 pyrazoles were performed by means of UV-Vis, FTIR, ¹H-NMR, ¹³C-NMR, two-dimensional NMR experiments and DFT simulations. As pyrazoles are known for showing diverse biological actions, they were also tested in the NCI-60 cancer cell line panel, showing moderate to good activity against diff...

Liquid-assisted grinding and solvent crystallizations have been undertaken to prepare salts and cocrystals of the modified nucleobase 9-ethyladenine with several carboxylic acids. The new solid forms have been characterized by X-ray powder and single crystal diffraction, attenuated total reflectance Fourier transformed infrared spectroscopy and the...

Imidazoline I2 receptors (I2-IR), widely distributed in the CNS and altered in patients that suffered from neurodegenerative disorders, are orphan from the structural point of view and new I2-IR ligands are urgently required for improving their pharmacological characterization. We report the synthesis and 3D-QSAR studies of a new family of bicyclic...

N-Methyl-d-aspartate receptors (NMDARs) are crucial for the normal function of the central nervous system (CNS), and fundamental in memory and learning-related processes. The over-activation of these receptors is associated with numerous neurodegenerative and psychiatric disorders. Therefore, NMDAR is considered a relevant therapeutic target for ma...

The reaction of adenine with 2-chloropyrimidine yields as a major product the unexpected N7-(2-pyrimidyl)-adenine (1) and as a minor one N9-(2-pyrimidyl)-adenine (2). Both compounds have been characterized by X-ray diffraction analysis. Moreover, we report the formation of a 1:1 co-crystal (3) composed by compound (1) and adenine that was formed se...

In this work, we report the cocrystallization of N 9-ethyladenine with 1,2,4,5-tetrafluoro-3,6-diiodobenzene (TFDIB), a classical XB donor. As far as our knowledge extends, this is the first cocrystal reported to date where an adenine derivative acts as a halogen bond acceptor. In the solid state, each adenine ring forms two centrosymmetric H-bonde...

We report the synthesis and X-ray characterization of the N 6-benzyl-N 6-methyladenine ligand (L) and three metal complexes, namely [Zn(HL) Cl 3 ]·H 2 O (1), [Cd(HL) 2 Cl 4 ] (2) and [H 2 L] 2 [Cd 3 (μ-L) 2 (μ-Cl) 4 Cl 6 ]·3H 2 O (3). Complex 1 consists of the 7H-adenine tautomer protonated at N3 and coordinated to a tetrahedral Zn(II) metal centre...

The nitridation of cation ordered, tetragonal Sr2FeMoO6 in NH3 at moderate temperatures leads to the cubic, Fm-3m double perovskite oxynitride Sr2FeMoO4.9N1.1 where double-exchange interactions determine ferromagnetic order with Tc ≈ 100 K. Substitution of oxide by nitride induces bond asymmetries and local electronically-driven structural distorti...

Base-catalyzed annulation reactions of 5,6-dihydro-2(1H)-pyridones with Nazarov-type reagents are reported. The effect of the solvent polarity and the concentration of the reagents is studied. The process involves two successive Michael additions and stereoselectively provides functionalized cis-perhydroisoquinolin-1-ones.

Co-doped titanium dioxide was synthesized by doping with manganese (Mn) and cerium (Ce) through a sol-gel method for the degradation of diclofenac (DCF). The synthesized products were successfully characterized by X-ray diffraction (XRD), Raman spectroscopy, Transmission electron microscopy (TEM), Scanning electron microscopy (SEM), Nitrogen physis...

A theoretical study of the effect of the diprotonation on the nucleic acid bases (A : U, A : T and G : C) in Watson‐Crick conformation has been carried out by means of DFT computational methods in vacuum. In addition, the corresponding neutral and monoprotonated binary complexes have been considered. Most of the diprotonated species studied are sta...

The photodegradation of diclofenac from aqueous medium under UV-A light condition has been essayed using co-doped with manganese and silver TiO2 photocatalysts. X-ray diffraction, Raman spectroscopy, Scanning electron microscopy, Transmission electron microscopy, High resolution transmission electron microscopy, Energy dispersive X-ray, N2 adsorpti...

A novel and convenient synthetic route towards dialkyl as-indacenes was achieved by alkylation of malonic esters with o-xylylene dibromide, to give the corresponding tetraester, and related diacid. The alkyl groups on the central benzene ring induce intramolecular, regiospecific cycloeliminations leading selectively to the diketones, the precursors...

This study reports the synthesis of two novel transition metal complexes using tetradentate 1,10-phenanthroline-2,9-dicarboxylic acid (H2PDA) as a main ligand and 1,10-phenanthroline (phen) as an auxiliary N-donor ligand. The structures of [FeCl(phen)(PDA)]∙H2O (1) and NH4[Fe(PDA)2]∙2MeCN (2) have been prepared under similar solvothermal conditions...

High surface area titania lyogels have been prepared, thermally transformed into TiO2 polymorphs at 400-850 °C, and decorated by ball milling with preformed Au nanoparticles of ca. 2 nm to ensure the same contact points at the metal-support interphase. The best performance in the photogeneration of hydrogen from gaseous water-ethanol under dynamic...

Plasmonic nanoparticles, especially gold ones, have been widely employed as photo-sensitizers in photo-electrovoltaic or photo-catalytic systems. To improve the system’s performance, a greater interaction of the nanoparticles with the semiconductor, generally TiO2, is desire. Moreover, the greater recovering of TiO2 surface by the sensitizer, the m...

Three new dinuclear copper(II) complexes [Cu2(μ–HLⁿ)2(μ-Cl)2Cl2]Cl2 (1–3) have been synthesized and structurally characterized by single-crystal X-ray diffraction, where HLx, (HL¹ = N⁶-propyladeninium, HL² = N⁶-butyladeninium and HL³ = N⁶-isobutyladeninium) are N⁶-alkyl bidentate NN donor adenine bases. Complexes 1–3 exhibit a coplanar arrangement...

The high yield synthesis, characterization and biological trials of a family of compounds containing the pyrazole core (E)-3,5-dimethyl-1-(4-R-phenyl)-4-(phenyldiazenyl)-1H-pyrazoles (with R = 4-CH3O (1), 4-CH3 (2), 4-H (3), 4-F (4), 4-Cl (5), 4-CF3 (6), 4-CN (7), 4-NO2 (8), 3-Cl (9), 3-NO2 (10), 2-Cl (11) and –C6F5 (12)) are reported. Hammett corr...

A short synthesis of an enantiopure pyrrolobenzodiazepine (PBD) dilactam featuring early installation of the C2-C3 unsaturation is reported. An enantioselective cooperative catalytic cascade followed by self-disproportionation of enantiomers via sublimation afforded the enantiopure 2,3-dihydro-1. H-pyrrole key intermediate, 1. N-Acylation followed...

Low density-highly porous tetraethoxysilane (TEOS)-based silica aerogels and cryogels were prepared in acidic water via a one-step process. The approximate values of the average pore diameter are 13 and 9 nm, and BET surface areas are 881 and 723 m 2 /g for aerogel and cryogel films, respectively. The silica films shrinkage related to drying was la...

Herein we report the first X-ray solid state characterization of a Ag(I) complex with cytidine-5’-monofosfate (HCMP) of formula Ag(HCMP)·H2O. The coordination of Ag(I) to HCMP is via both the N3 and O2 atoms of two cytosine moieties and the phosphate group. Short Ag(I)-Ag(I) distances (2.99 Å) suggests an interesting argentophilic attraction as a s...

A three-step procedure for the enantioselective synthesis of spiro[indolizidine-1,3′-oxindoles], consisting of a stereoselective cyclocondensation reaction between (S)-tryptophanol and a prochiral or racemic δ-oxoester, bromination of the resulting oxazolopiperidone lactam, and a final stereoselective spirocyclization, is reported.

Au/TiO 2 lyogels have been prepared by sol-gel process followed by freeze-drying and calcination in order to induce crystallization. In the synthesis, a dispersion of AuNPs was added either during the sol-gel process or mixed with the lyogels in a ball mill after the freeze-drying. The lyogels are formed of TiO 2 crystallites decorated with Au nano...

The fac-[Re(CO)3(4,4′-dimethyl-2,2′-bpy)L]PF6 (C2) complex have been recently reported as a useful fluorophore for walled cells (yeasts and bacteria) without the need of antibodies. In the present work, we report the structural parameters of the C2 complex, where L is an ancillary ligand E-2-((3-amino-pyridin-4-ylimino)-methyl)-4,6-di-tert-butylphe...

The methyl-substituted Nazarov reagent 4 stereoselectively reacts with Nind-Boc indoloquinolizidine lactams to give the expected H-3/H-15 cis pentacyclic yohimbine-type adducts when using DBU as the base. However, a dramatic change of the facial selectivity was observed when the reaction was performed in the presence of Cs2CO3, leading to the corre...

Topochemical nitridation in ammonia at moderate temperatures of cation ordered Sr2FeWO6 produces new antiferromagnetic double perovskite oxynitrides Sr2FeWO6-xNx with 0 < x ? 1. Nitrogen introduction induces the oxidation of Fe(2+) to Fe(3+) and decreases TN from 38 K (x = 0) to 13 K for Sr2FeWO5N which represents the first example of a double pero...

Stereoconvergent cyclocondensation reactions of (R)- or (S)-phenylglycinol with appropriately substituted cyclohexanone-based δ-keto esters are the key steps of short synthetic routes to enantiopure 5-, 7-, and 5,7-substituted cis-decahydroquinolines. The factors governing the stereoselectivity of the cyclocondensation are discussed. The potential...

Here we report the inclusion of two Keggin Polyoxometalates (POMs), [H3PW12O40] and [H4SiW12O40], into silica gels by integrating them during the preparation of the SiO2 matrix via "sol-gel" methods. Aerogels were produced by supercritical drying of the wet gels impregnated with the POMs, and lyogels were obtained by means of a lyophilization proce...

Photocatalytic performance is highly dependent on the nature and dispersion of the active sites that play a crucial role in the optoelectronic and charge-transfer processes. Here, we report a strategy to stabilize isolated iron species on MCM-41 as highly active catalysts for photo-oxidation reaction. The unique nature of the single-atom centers ex...

A new series of cadmium(II) and zinc(II) coordination polymers, formulated as {[Cd1.5(μ-L)(μ-CH3COO)(μ-N3)(CH3OH)]·3CH3OH}n (1), {[Zn(μ-L)Br]·CH3OH}n (2), {[Zn(μ-L)I]·CH3OH}n (3), {[Zn(μ-L)(N3)]·C2H5OH}n (4), and [Zn2(μ-L)2(μ-N3)2]n (5), was self-assembled from the metal(II) acetates (or nitrates), a multifunctional pyridine-hydrazone building bloc...

The synthesis of a metalled double-helix containing exclusively silver-mediated C*-C* base pairs is reported herein (C* = N1hexylcytosine). Remarkably, it is the first crystal structure containing infinite and consecutive C*-AgI-C* base pairs that form a double helix. The AgI ion occupies the center between two C* residues with N(3)-Ag bond distanc...

The application of a positive electric field on a Pd(0)-carbon aerogel nanocomposite enhances the reaction rate of the Mizoroki-Heck reaction. By contrast, when a negative potential is employed the reaction is inhibited. On the other hand, chronoamperometry measurements have revealed the polarizing current intensity as an indirect measure of the re...

Cyclocondensation of (R)-phenylglycinol with stereoisomeric mixtures (racemates, cis/trans) of 3-substituted 2-oxocyclohexaneacetates stereoselectively afforded tricyclic oxazoloindolone lactams, from which straightforward procedures for the stereocontrolled formation of enantiopure 7-substituted octahydroindoles with a variety of stereochemical pa...

High enantioselection is obtained in α-amination of acyclic β-keto esters in the presence of lanthanide triflates and pybox ligands. The Eu3+ complexes proved more active than those with Yb3+ and La3+ and high dependence of ee on the type and steric bulk of the ester group was observed. Excellent results were achieved using a combination of europiu...

The research of Rhenium(I) tricarbonyl diimine complexes of the general form fac- Re(CO)3(N,N)(L), where N,N are substituted bipyridine and L the ancillary ligand might be halogen or pyridine, dates back from the 1970s.1 Since then, it has attracted much attention due to their appealing photophysical properties based on the ReI core which are adjus...

Four Pb(ii) complexes of (iso)nicotinohydrazide-based ligands and different anionic coligands (azide, nitrate, acetate and iodide) have been synthesized and characterized by structural, analytical and spectroscopic methods. The mono-deprotonated or neutral forms of the ligands coordinate in a tridentate fashion via two nitrogen and one oxygen donor...

A theoretical study on some carboxylic acid dimers formed by positively or negatively charged molecules has been carried out by using DFT methods. The resulting dimers possess either a charge of +2 or -2. In addition, the corresponding neutral complexes have also been considered. The electron density distribution described by the atoms in molecules...

A convergent synthesis of fluvirucinin B1 from acid ent-6a and nitrile ent-9, involving an organocopper coupling, a stereoselective allylation, a ring-closing metathesis reaction, and a stereoselective hydrogenation as the key steps, is reported. The starting building blocks have been prepared in a straightforward manner from a common phenylglycino...

A new route for the synthesis of a monolithic porous hybrid organic-inorganic material composed of silica and an epoxy resin is reported. This ormosil material is prepared by supercritical drying of a gel obtained by a one-pot procedure and using ethanol as the only solvent. The microscopic analysis reveals that the material presents an open networ...

Research in fluorescence microscopy presents new challenges, especially with respect to the development of new metal-based fluorophores. In this work, new fac-[Re(CO)3(bpy)L]PF6 (C3) and fac-[Re(CO)3(dmb)L]PF6 (C4) complexes, where L is an ancillary ligand, E-2-((3-amino-pyridin-4-ylimino)-methyl)-4,6-di-tert-butylphenol, both exhibiting an intramo...

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and...

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and...

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and...

Malaria continues to be a major cause of morbidity and mortality to this day, and resistance to drugs like chloroquine has led to an urgent need to discover novel chemical entities aimed at new targets. Here, we report the discovery of a novel class of potential antimalarial compounds containing an indolizinoindolone scaffold. These novel enantiopu...

A new chloride-dimethylsulfoxide-iridium(III) complex with histaminium(1+) trans-[IrIIICl4(DMSO-κS)(Histamine-H)]·2H2O (1) and a precursor mer-[IrIIICl3(DMSO-κO)(DMSO-κS)2] (2) have been synthesized and characterized by spectroscopic techniques and by single crystal X-ray diffraction studies. The nature of an interesting lp-π/π-π/π-lp assembly foun...

This contribution describes the synthesis and characterization of a series of zirconium metallocenes derived from partially alkylated s-indacene. The complexes [Cp∗ZrCl2-s-Ic″H] 1, [Cp∗ZrCl2-s-Ic″H] 3 and [CpZrCl2-s-Ic″H] 4 (s-Ic′H = 2,6-diethyl-4,8-dimethyl-1-hydro-s-indacene; s-Ic″H = 2,6-dibutyl-4,8-dimethyl-1-hydro-s-indacene) were synthesized...

Agglomerates of spherical Na5-δTi3O3- δF11+δ (δ ≈0.3) nanoparticles are obtained by repeated microwave heating of an aqueous solution of H2TiF6 and Na(OAc) in a domestic microwave oven (800 W, 20 s).

In this manuscript we report the synthesis and X-ray characterization of several complexes of Cu(II), Co(II) and Ni(II) with 2-(N-benzimidazolyl)-pyrimidine (L) and nitrate co-ligands. Complexes 1 and 2 are, respectively, anti and syn isomers of formula [CuL2(NO3)2]. Furthermore, complexes 2, [CoL2(NO3)2] (3) and [NiL2(NO3)2] (4) are essentially is...

Synthesis of (E)-3,5-dimethyl-4-(R-phenyldiazenyl)isoxazoles was carried out by reaction of β-diketohydrazones, of formula R-C6H4-NHN=C(COCH3)2 with hydroxilammonium chloride, being R= 4-N(CH3)2(1), 4-OH(2), 4-CH3(3), 4-OCH3(4), 4-H(5), 4-Cl(6) 4-Br(7), 4-CO2H(8), 4-CO2CH2CH3(9), 4-COCH3(10), 4-CN(11), 4-NO2(12), 4-CH2CO2CH2CH3(13), 3-Cl(14), 2-OH(...

The synthesis, characterization and biological study of a new 3,4,5-trisubstituted isoxazolones have been reported, whereby a series of (Z)-3-methyl-4-(2-(R-phenyl)hydrazinylidene)isoxazol-5(4H)-ones were prepared by the reaction of a β-diketohydrazone with hydroxylammonium chloride. All the products were characterized using EA, UV-Vis, FT-IR, 1H-N...

A theoretical study of anionic complexes formed by two partly deprotonated oxoacids joined by hydrogen bonds has been carried out at the MP2 computational level. In spite of the ionic repulsion, local energy minima are found both in gas phase and in aqueous solution. Electrostatic potential and electron density topologies, and the comparison with n...