15 Result(s)
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Article
I. N. Shcherbakov
Atomic/Molecular Structure and Spectra
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Article
Interrelation Between the Spiropyran-Merocyanine Isomerism and the Metal Coordination in 3d Metal Complexes of a Functionalized Spiropyran of the 2-Oxaindane Series
Possible isomers of the N-(3,4-dimethylphenyl)-2-[(7-hydroxy-3′,3′-dimethyl-3′H-spiro[chromene-2,1′-isobenzofuran]-8-yl)methylidine]hydrazinocarbothioamide (HL) spiropyran of the 2-oxaindane series and the [ML(H2
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On the Influence of the Nature of Non-Bridging Donor Atoms on the Structure and Magnetic Properties of Binuclear Cu(II) Complexes with Heterocyclic Azomethine Ligands
Binuclear complex [Cu2L(μ2-pz)] (pz = pyrazolate anion) of copper(II) with the condensation product of 1,3-diamino-2-propanol (DAP) and 4-formyl-3-formylcoumarin (H3L) is synthesized and characterized. Magnetic p...
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Crystal structure and magnetic properties of a new polymer dinuclear copper(II) chelate with a schiff base based on 3-formylpyrone and 1,3-diaminopropanol-2
A polymeric dinuclear copper(II) complex with a Schiff base based on 3-formyl-4-hydroxy-6-methylpyrone and 1,3-diaminopropanol-2 is synthesized. The crystal structure of the complex is determined by single cry...
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Crystal structure of the (N,N′-bis[chromen-2,4-dione]-3-{2′-hydroxypropylenediamine-N,N′,O,O′}) (dimethylsulfoxide)copper(II) complex
The N,N′-bis[chromen-2,4-dione]-3-{2′-hydroxypropylenediamine-N,N′,O,O′}copper(II) solvate complex with dimethylsulfoxide is synthesized. The crystal and molecular structure of the complex is determined by X-r...
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Article
Local atomic structure of mono- and binuclear metal complexes based on 3-formylpyrone and 3-formylcoumarin bis-azomethines
A series of Cu, Ni, and Mn complexes based on formylpyrone and formylcoumarin azomethynes with 1,3- diaminepropanol-2. The analysis of XANES and EXAFS spectra of the Cu, Ni, and Mn complexes, which were proces...
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On the structure of copper(II) coordination compounds with L-histidine
Quantum chemical calculations are performed for the spatial and electron structure of complex compounds of L-histidine and its ionized forms with copper(II) for a variety of compositions within the density fun...
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Effect of the nature of non-bridging donor atoms on the structure and magnetic properties of binuclear copper(II) complexes with heterocyclic azomethyne ligands
Pyrazolate bridging binuclear copper(II) complex with a heterocyclic azomethyne ligand (a condensation product of 1,3-diaminopropanol-2 with 1-phenyl-3-methyl-4-formyl-5-mercaptopyrazole) is synthesized and st...
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Molecular and crystal structure of iron(III) and nickel(II) complexes with 1′-phthalazinylhydrazones of heterocyclic carbonyl compounds
The structures of iron(III) and nickel(II) complexes with the composition [FeL2]Cl·H2O (1) and [Ni(HL′2)]·DMSO·0.5H2O (2), where L and HL′ are monodeprotonated residues of 1′-phthalazinylhydrazones of 2-acetyl be...
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Article
Crystal structure of a trinuclear complex of zinc(II) with 2,6-Di-tert-butyl-p-quinone 1′-phthalazinylhydrazone
2,6-Di-tert-butyl-p-quinone 1′-phthalazynylhydrazone (HL) is synthesized; the total energies and geometry of the possible hydrazone tautomeric forms are calculated by quantum chemical methods. The hydrazone phtha...
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Article
Tautomerism of substituted salicylaldehyde and 2-diphenylphosphinebenzaldehyde 1′-phthalazinylhydrazones: X-ray crystallography and quantum chemical modeling
1′-Phthalazinylhydrazones of salicylaldehyde, its substituted derivatives, and 2-diphenylphosphine-benzaldehyde are synthesized and studied. A description is given of the structures salicylaldehyde 1′-phthalaz...
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Article
Crystal structure of bis-Isonicotinoyl hydrazone of 2,5-diformylpyrrole
bis-Isonicotinoyl hydrazone of 2,5-diformylpyrrole existing in the crystal in the form of a tetrahydrate of the hydrazone tautomeric form is synthesized and its structure is described. In the cry...
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Article
Crystal structure of the polycyclic oxidation product of 1′-phthalazinylhydrazone of 2-formylpyrrole
Phthalazinylhydrazone of 2-formylpyrrole is synthesized, the values of ionization constants are determined, and quantum chemical calculation of the geometry and total energy of possible tautomers is performed....
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Article
Crystal and molecular structure of the copper(II) Schiff-base complex containing the azo group
From 3-allyl salicylaldehyde and 4-aminoazobenzene (HL), the Schiff-base complex of copper(II) is synthesized and structurally characterized. The crystallographic unit of a CuL2 (1) single crystal contains two in...
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X-ray absorption spectroscopic and magneto-chemical analysis of the atomic structure of copper(II) complexes with diacetyl monoxime 1′-phthalazinyl hydrazone
The atomic structure of copper(II) complexes based on diacetyl monoxime 1′-phthalazinyl hydrazone is studied by XANES spectral analysis and magnetochemistry. The XANES spectra at the CuK-edge are measured in C24H
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Atomic structure of the copper bromide complex based on benzoin 1′-phthalazinylhydrazone: DFT and X-ray absorption spectroscopy analysis
A copper bromide complex based on benzoin 1′-phthalazinylhydrazone is synthesized. Within density functional theory (OPBE/TZP) the optimal structural parameters of the complex are determined. X-ray Absorption ...
