A5013807269- Advanced Chemical Physics Studies
- Inorganic Fluorides and Related Compounds
- Chemical Thermodynamics and Molecular Structure
- Molecular Spectroscopy and Structure
- Luminescence Properties of Advanced Materials
- Free Radicals and Antioxidants
- Porphyrin and Phthalocyanine Chemistry
- Inorganic Chemistry and Materials
- Crystallography and molecular interactions
- Photochemistry and Electron Transfer Studies
- Analytical Chemistry and Chromatography
- Magnetism in coordination complexes
- Lanthanide and Transition Metal Complexes
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Organometallic Complex Synthesis and Catalysis
- Crystallization and Solubility Studies
- Catalysis and Oxidation Reactions
- Chemical Reaction Mechanisms
- Chemical Reactions and Mechanisms
- X-ray Diffraction in Crystallography
- nanoparticles nucleation surface interactions
- Metal complexes synthesis and properties
- Fluorine in Organic Chemistry
- Synthesis and characterization of novel inorganic/organometallic compounds
- Solid-state spectroscopy and crystallography
Ivanovo State University
2016-2025
Ivanovo State University of Chemistry and Technology
2003-2024
Lomonosov Moscow State University
1993-2006
University of Oslo
2006
Universität Ulm
2003
The composition of the saturated vapors two platinum complexes with macrocyclic ligands 5,10,15,20‐tetraphenylporphyrin (PtTPP) and 5,10,15,20‐tetrakis(pentafluorophenyl)porphyrin (PtTF5PP) their structures were determined by synchronous gas‐phase electron diffraction/mass spectrometry (GED/MS). These porphyrin are those heaviest metal atom in coordination cavity that have been structurally investigated gas phase. mass spectra confirm presence a single molecular form each, PtTPP...
The molecular structure of axial and equatorial conformers 1-trifluoromethyl-1-silacyclohexane, (C5H10SiHCF3), as well the thermodynamic equilibrium between these species was investigated by means gas electron diffraction (GED), dynamic nuclear magnetic resonance (DNMR) spectroscopy, quantum chemical calculations (B3LYP, MP2, CBS-QB3). According to GED, compound exists a mixture two Cs symmetry possessing chair conformation six-membered ring differing in or position CF3 group (axial=58(12)...
The molecular structure and conformational properties of benzenesulfonamide, C6H5SO2NH2, were studied by gas electron diffraction (GED) quantum chemical methods (MP2 B3LYP with different basis sets). calculations predict the presence two stable conformers NH2 group eclipsing or staggering SO2 group. eclipsed form is predicted to be favored about 0.5 kcal/mol. According GED, saturated vapor over solid benzenesulfonamide at a temperature 150(5) degrees C consists conformer. GED intensities,...
Gas-phase electron diffraction was applied for the molecular structure determination of octamethylporphyrin tin(II), SnN4C28H28, at temperature 706(10) K. The molecule found to possess C4v symmetry with Sn atom 1.025(30) Å above plane N atoms and following main internuclear distances (rh1, Å): Sn–N = 2.301(9), Cα–N 1.360(8), Cα–Cβ 1.453(4), Cα–Cm 1.395(4), Cβ–CCH3 1.498(4). Quantum chemical calculations, DFT (B3LYP, BP86, PBE, PBE0) cc-pVDZ, cc-pVTZ cc-pVQZ basis sets reproduce experimental...
The molecular structure and conformational properties of para-methylbenzene sulfonamide (4-MBSA) ortho-methylbenzene (2-MBSA) have been studied by gas electron diffraction (GED) quantum chemical methods (B3LYP/6-311+G** MP2/6-31G**). Quantum calculations predict the existence two conformers for 4-MBSA with S-N bond perpendicular to benzene plane NH2 group either eclipsing or staggering S-O bonds SO2 group. Both possess CS symmetry. eclipsed form is predicted be favored DeltaE = 0.63 kcal/mol...
The molecular structures of tris(dipivaloylmethanato)neodymium(III), Nd(dpm)3, and tris(dipivaloylmethanato)ytterbium(III), Yb(dpm)3, have been determined by gas electron diffraction (GED) structure optimizations through density functional theory (DFT) calculations. Both molecules were found to D3 symmetry. most important parameters (r(a) structure) are as follows (GED/DFT): Nd-O = 2.322(5)/2.383 A, Yb-O 2.208(5)/2.243 O-Nb-O 72.1(3)/71.3 degrees , O-Yb-O 75.3(2)/75.8 . twist angles the LnO6...
The structures of molecular tellurium tetrafluoride and tetrachloride were determined by a combination gas-phase electron diffraction, mass spectrometry quantum chemical calculations. combined GED/MS experiments showed no evidence decomposition TeF4 TeCl4. No ions oligomeric (dimeric, trimeric, etc.) or any other composition found in the spectra. monomeric molecules possess pseudo trigonal bipyramidal structure (C2v symmetry) with equatorial Te–X distances being shorter than axial ones....
The influence of the chalcogen atom (X) on molecular and electronic structures for series Mg[Formula: see text] tetra(1,2,5-chalcogenadiazolo)porphyrazines [TXDPzMg] (X [Formula: O, S, Se, Te) their monoaqua complexes [TXDPzMg(OH[Formula: text]] was studied using DFT methods (B3LYP PBE0 functionals) with cc-pVTZ basis sets. X changes strongly geometry fused 1,2,5-chalcogenadiazole rings, but has only a weak dimensions coordination cavity porphyrazine macrocycle in leading to its slight...
Based on the data of gas electron diffraction/mass spectrometry (GED/MS) experiment, composition vapor over rhenium tetrafluoride at T = 471 K was established, and it found that species Re2F8 is present in phase. The geometric structure molecule corresponding to D4h symmetry found, following parameters rh1 configuration were determined: rh1(Re-Re) 2.264(5) Å, rh1(Re-F) 1.846(4) α(Re-Re-F) 99.7(0.2)°, φ(F-Re-Re-F) 2.4 (3.6)°. Calculations by self-consistent field full active space...