Prof. Dr. Stanislav K. Ignatov
Title:
D.Sc. (Doktor khimicheskikh nauk, Physical Chemistry, 2006)
Ph.D. (Kandidat khimicheskikh nauk, Physical Chemistry, 1995)
Professor (Zvanie professor, 2019)
Position:
Professor of Physical Chemistry Chair, Department of Chemistry,
N.I. Lobachevsky State University of Nizhny Novgorod
Business Address:
Department of Chemistry,
N.I. Lobachevsky State University of Nizhny Novgorod,
23 Gagarin Avenue, Nizhny Novgorod 603950, Russia
E-mail: ignatov@ichem.unn.ru
URL: http://qchem.unn.ru
Scientific interests:
- Quantum chemistry of gas-surface interfaces with emphasis on the active center formation on the solid surface (first of all, on the water ice surface), mechanistic study of surface modification processes. Quantum chemistry of heterogeneous catalysis on the solid surfaces, mechanisms of the molecular interaction of adsorbed molecules with a surface.
- Theoretical treatment of the weak complex formation in inorganic systems, weak interactions in high-pure substances, mechanistic study of the gas-phase and surface reactions and dynamics.
- Metallic clusters and nanoparticles, their structure and properties, and chemical reactivity.
- Development of new theoretical methods for the investigation of structure and thermodynamics of non-rigid and weakly-bound complexes, adsorption complexes and clusters.
Academic Education:
1982–1989 Department of Chemistry, University of Nizhny Novgorod (Honor Diploma in Chemistry)
1991–1994 Ph.D. work (Aspirantura), Physical Chemistry Chair, University of Nizhny Novgorod, supervisor Prof. Yu.A.Alexandrov.
Thesis: “Quantum-chemical treatment of the thermochemical, electronic, and structural parameters of organochromium compounds with the bipolar expansion technique for the Ohno potential”
Postdoctoral fellowship:
Prof. Alexander Bagatur’yants,
Laboratory of quantum chemistry, Photochemistry center of RAS, Moscow
Languages:
Russian, English (fluent), German
Work Experience:
- 1989–1991: Scientific researcher, Research Institute of Chemistry at the N.I. Lobachevsky State
- University of Nizhny Novgorod (quantum chemistry group of the laboratory of chemical kinetics)
- 1991–1994: PhD student (Aspirant), Physical Chemistry Chair, N.I. Lobachevsky State University of Nizhny Novgorod
- 1994–1998: Assistant Teacher (Assistant), Chair of Photochemistry and Spectroscopy, N.I. Lobachevsky State University of Nizhny Novgorod
- 1998–2000: Senior Teacher (Starshii Prepodavatel), Chair of Photochemistry and Spectroscopy, N.I. Lobachevsky State University of Nizhny Novgorod
- 2000–2006: Assistant Professor (Docent), Chair of Photochemistry and Spectroscopy, N.I. Lobachevsky State University of Nizhny Novgorod
- 2006-Present: Professor, Chair of Physical Chemistry (former Chair of Photochemistry and Spectroscopy), N.I. Lobachevsky State University of Nizhny Novgorod
Principal Investigator inrecent grant projects:
- Russian Foundation for Basic research, RFBR (2014–2016) — Elementary heterogeneous-catalytic reactions on chemically modified nanoparticles of platinum and VIII group metals: selective hydrogenation of bifunctional compounds
- RFBR (2017–2019) — Сatalysis on chemically modified bimetallic nanoparticles of platinum-rhodium: the mechanism and ways for increasing of selectivity in the hydrogenation of bifunctional compounds
- RFBR (2018–2020) — Development of methods and software for predicting the physicochemical properties of functional nanomaterials
- RFBR (2020–2022) — Development of methods for predicting the structure and physicochemical properties of metal clusters based on global optimization and DFT-calibrated multiparticle potentials
- DAAD grant for scientific projects and visits (Germany, 2003, 2009, 2011)
Bibliometric data (2021)
- Number of publications in WoS: 95
- Hirsch index: 18
- Sum of the Times Cited: 979
- Citing Articles: 742
- Average Citations per Item: 31
Journal publications (1994–2021)
- Rozhkov A.V., Ignatov S.K., Suleimanov E.V. Effect of an external electric field on the diffusion of oxygen ions in zirconium dioxide doped with yttrium oxide. Molecular dynamics study. Solid State Ion. 2021, 371. DOI:10.1016/j.ssi.2021.115758.
- Naumov V.S., Loginova A.S., Avdoshin A.A., Ignatov S.K., Mayorov A.V., Aradi B., Frauenheim T. Structural, electronic, and thermodynamic properties ofTiO(2)/organic clusters: performance ofDFTBmethod with different parameter sets. Int J Quantum Chem. 2021, 121(2). DOI:10.1002/qua.26427.
- Ignatov S.K., Belyaev S.N., Panteleev S.V., Masunov A.E. How Many Isomers Do Metallic Clusters Have? Case of Magnesium Clusters of up to 55 Atoms. J Phys Chem A. 2021, 125(30), 6543–6555. DOI:10.1021/acs.jpca.1c02529.
- Eliseeva T.I., Balabolkin, II, Geppe N.A., Tush E.V., Ovsyannikov D.Y., Podchernyaeva N.S., Trushanina P.V., Ignatov S.K., Kubysheva N.I., Bulgakova V.A., Khaletskaya O.V. Hematologic Features of Children and Adolescent Patients with Acute Hypersensitivity Reactions on Drugs and Food. Biomed Res Int. 2020, 2020. DOI:10.1155/2020/5104284.
- Tush E.V., Eliseeva T.I., Khaletskaya O.V., Krasilnikova S.V., Ovsyannikov D.Y., Potemina T.E., Ignatov S.K. Extracellular Matrix Markers and Methods for Their Study (Review). Sovrem Tehnol Med. 2019, 11(2), 133–147. DOI:10.17691/stm2019.11.2.20.
- Naumov V.S., Ignatov S.K. Dissolution of chitosan nanocrystals in aqueous media of different acidity. Molecular dynamic study. Carbohydr Polym. 2019, 207, 619–627. DOI:10.1016/j.carbpol.2018.12.019.
- Mai V.H., Gadzhiev O.B., Ignatov S.K., Nikonov G.I. H/D exchange in N-heterocycles catalysed by an NHC-supported ruthenium complex. Catal Sci Technol. 2019, 9(13), 3398–3407. DOI:10.1039/c9cy00561g.
- Loginova A.S., Savintseva L.A., Ignatov S.K. Structure and electronic excitation spectra of low-lying isomers of Au-n clusters (n=2–20). A DFT study. Comput Theor Chem. 2019, 1170. DOI:10.1016/j.comptc.2019.112637.
- Ignatov S.K., Razuvaev A.G., Loginova A.S., Masunov A.E. Global Structure Optimization of Pt Clusters Based on the Modified Empirical Potentials, Calibrated using Density Functional Theory. J Phys Chem C. 2019, 123(47), 29024–29036. DOI:10.1021/acs.jpcc.9b08691.
- Bukhvalova S.Y., Maleev A.A., Gracheva Y.A., Voitovich Y.V., Ignatov S.K., Svirshchevskaya E.V., Fedorov A.Y. Gold-catalyzed cyclization in the synthesis of antimitotic 2,3-dihydrobenzo b oxepine derivatives of colchicine. Russ Chem Bull. 2019, 68(12), 2205–2215. DOI:10.1007/s11172-019‑2689-7.
- Varlamova L.A., Ignatov S.K., Fukina D.G., Konakov A.A., Masunov A.E., Suleymanov E.V. Nonlinear Optical Properties of Mixed Oxide Crystals CsNbMoO6 and CsTaMoO6: A Periodic CPHF/KS Study. J Phys Chem C. 2018, 122(43), 24907–24916. DOI:10.1021/acs.jpcc.8b07117.
- Panteleev S.V., Belyaev S.N., Ignatov S.K. Effect of magnesium cluster size on Grignard reagent formation mechanism. A quantum-chemical study. J Theor Comput Chem. 2018, 17(7). DOI:10.1142/s021963361850044x.
- Kuznetsova Y.L., Nyuchev A.V., Lenshina N.A., Lopatin M.A., Ignatov S.K., Chesnokov S.A., Shurygina M.P., Vavilova A.S., Fedorov A.Y. Synthesis of fluorescent coumarin-labeled organic glass. Russ Chem Bull. 2018, 67(9), 1671–1678. DOI:10.1007/s11172-018‑2275-4.
- Eliseeva T.I., Tush E.V., Krasilnikova S.V., Kuznetsova S.V., Larin R.A., Kubysheva N.I., Khaletskaya O.V., Potemina T.E., Ryazantsev S.V., Ignatov S.K. Metabolism of the Extracellular Matrix in Bronchial Asthma (Review). Sovrem Tehnol Med. 2018, 10(4), 220–232. DOI:10.17691/stm2018.10.4.25.
- Eliseeva T.I., Tush E.V., Balabolkin, II, Bulgakova V.A., Novikova N.A., Zastelo E.S., Trushanina P.V., Khaletskaya O.V., Potemina T.E., Ignatov S.K. Characteristics of drug allergic reactions in children. Allergy. 2018, 73, 810–810.
- Eliseeva T.I., Krasilnikova S.V., Geppe N.A., Babaev S.Y., Tush E.V., Khaletskaya O.V., Ovsyannikov D.Y., Balabolkin, II, Ignatov S.K., Kubysheva N.I. Effect of Nasal Obstructive Disorders on Sinonasal Symptoms in Children with Different Levels of Bronchial Asthma Control. Can Respir J. 2018, 2018. DOI:10.1155/2018/4835823.
- Eliseeva T.I., Krasilnikova S.V., Babaev S.Y., Novozhilov A.A., Ovsyannikov D.Y., Ignatov S.K., Kubysheva N.I., Shakhov A.V. Dependence of Anterior Active Rhinomanometry Indices on Nasal Obstructive Disorders in Children with Atopic Bronchial Asthma Complicated by Nasal Symptoms. Biomed Res Int. 2018, 2018. DOI:10.1155/2018/1869613.
- Eliseeva T.I., Balabolkin, II, Zastelo E.S., Tush E.V., Ignatov S.K., Bulgakova V.A., Khaletskaya O.V. Blood counts in patients with acute hypersensitivity reactions to drugs and food. Allergy. 2018, 73, 804–807.
- Chuhmanov E.P., Ermolaev N.L., Plakhutin B.N., Ignatov S.K. Tris(perfluoroalkyl)germylethynyl derivatives of biphenyl containing ferrocenyl donor group: Structure, spectra, and photoinduced intramolecular electron transfer. Comput Theor Chem. 2018, 1123, 50–60. DOI:10.1016/j.comptc.2017.11.007.
- Zasovskaya M.A., Ignatov S.K. COMPLEXES AND CLUSTERS OF WATER, THIONYL CHLORIDE AND PRODUCTS OF ITS HYDROLYSIS IN A GAS PHASE. THERMODYNAMIC CHARACTERISTICS. Izv Vuzov. 2017, 7(1), 40–49. DOI:10.21285/2227–2925-2017–7-1–40-49.
- Shchegravina E.S., Maleev A.A., Ignatov S.K., Gracheva I.A., Stein A., Schmalz H.G., Gavryushin A.E., Zubareva A.A., Svirshchevskaya E.V., Fedorov A.Y. Synthesis and biological evaluation of novel non-racemic indole-containing allocolchicinoids. Eur J Med Chem. 2017, 141, 51–60. DOI:10.1016/j.ejmech.2017.09.055.
- Naumov V.S., Ignatov S.K. Modification of 56A(CARBO) force field for molecular dynamic calculations of chitosan and its derivatives. J Mol Model. 2017, 23(8). DOI:10.1007/s00894-017‑3421-x.
- Loginova A.S., Ignatov S.K., Chukhmanov E.P., Salomatina E.V., Smirnova L.A. Structure, spectra, and photoinduced electron-redistribution properties of TiO2/organic copolymers with gold nanoparticles. A DFT study. Comput Theor Chem. 2017, 1118, 1–15. DOI:10.1016/j.comptc.2017.08.028.
- Kubysheva N.I., Postnikova L.B., Soodaeva S.K., Novikov V.V., Shumilova S.V., Kasatova E.S., Eliseeva T.I., Ignatov S.K., Li T.V., Batyrshin I.Z. The Significance of Soluble Molecules of Cellular Adhesion, Nitric Oxide Metabolites, and Endothelin-1 and their Associations as Markers of Progression of Inflammation in COPD. Sovrem Tehnol Med. 2017, 9(2), 105–115. DOI:10.17691/stm2017.9.2.13.
- Krasilnikova S.V., Tush E.V., Babaev S.Y., Khaletskaya A.I., Popov K.S., Novozhilov A.A., Abubakirov T.E., Eliseeva T.I., Ignatov S.K., Shakhov A.V., Kubysheva N., Solovyev V.D. Endonasal Infrared Thermometry for the Diagnosis of All Inflammation of the Nasal Mucosa in Patients with Bronchial Asthma. Sovrem Tehnol Med. 2017, 9(4), 201–207. DOI:10.17691/stm2017.9.4.25.
- Eliseeva T.I., Geppe N.A., Tush E.V., Khaletskaya O.V., Balabolkin, II, Bulgakova V.A., Kubysheva N.I., Ignatov S.K. Body Height of Children with Bronchial Asthma of Various Severities. Can Respir J. 2017, 2017. DOI:10.1155/2017/8761404.
- Eliseeva T.I., Geppe N.A., Ignatov S.K., Soodaeva S.K., Tush E.V., Khaletskaya O.V., Potemina T.E., Malakhov A.B., Kubysheva N.I., Solovyov V.D. Relative Body Mass Index as a New Tool for Nutritional Status Assessment in Children and Adolescents with Bronchial Asthma. Sovrem Tehnol Med. 2017, 9(1), 135–147. DOI:10.17691/stm2017.9.1.18.
- Salomatina E.V., Loginova A.S., Ignatov S.K., Knyazev A.V., Spirina I.V., Smirnova L.A. Structure and Catalytic Activity of Poly(Titanium Oxide) Doped by Gold Nanoparticles in Organic Polymeric Matrix. J Inorg Organomet Polym Mater. 2016, 26(6), 1280–1291. DOI:10.1007/s10904-016‑0409-4.
- Ignatov S.K., Okhapkin A.I., Gadzhiev O.B., Razuvaev A.G., Kunz S., Baumer M. Adsorption and Diffusion of Hydrogen on the Surface of the Pt-24 Subnanoparticle. A DFT Study. J Phys Chem C. 2016, 120(33), 18570–18587. DOI:10.1021/acs.jpcc.6b04555.
- Belyaev S.N., Panteleev S.V., Ignatov S.K., Razuvaev A.G. Structural, electronic, thermodynamic and spectral properties of Mg-n (n=2–31) clusters. A DFT study. Comput Theor Chem. 2016, 1079, 34–46. DOI:10.1016/j.comptc.2016.01.011.
- Zasovskaya M.A., Ignatov S.K. Molecular pathways of SOCl2 hydrolysis within mono- and diaqua complexes. A quantum chemical study. Comput Theor Chem. 2015, 1069, 56–65. DOI:10.1016/j.comptc.2015.06.019.
- Okhapkin A.I., Ignatov S.K., Razuvaev A.G. Alternative mechanism of silane addition to the imido complex ((BuN)-Bu-t=)(2)Mo(PMe3)(2). A quantum chemical study. Comput Theor Chem. 2015, 1074, 83–90. DOI:10.1016/j.comptc.2015.10.007.
- Ermolaev N.L., Lenin I.V., Fukin G.K., Shavyrin A.S., Lopatin M.A., Kuznetsova O.V., Andreev B.A., Kryzhkov D.I., Ignatov S.K., Chuhmanov E.P., Berberova N.T., Pashchenko K.P. Tris(trifluoromethyl)germylethynyl derivatives of biphenyl and anthracene: Synthesis, structure, and evidence of the intramolecular charge transfer on the germanium center. J Organomet Chem. 2015, 797, 83–95. DOI:10.1016/j.jorganchem.2015.07.027.
- Khalimon A.Y., McLeod N.A., Ignatov S.K., Okhapkin A.I., Kuzmina L.G., Howard J.A.K., Nikonov G.I. Multiple coupling of silanes with imido complexes of Mo. Dalton Trans. 2014, 43(22), 8446–8453. DOI:10.1039/c4dt00154k.
- Ignatov S.K., Gadzhiev O.B., Razuvaev A.G., Masunov A.E., Schrems O. Adsorption of Glyoxal (CHOCHO) and Its UV Photolysis Products on the Surface of Atmospheric Ice Nanoparticles. DFT and Density Functional Tight-Binding Study. J Phys Chem C. 2014, 118(14), 7398–7413. DOI:10.1021/jp411523g.
- Panteleev S.V., Maslennikov S.V., Spirina I.V., Ignatov S.K., Isakov M.A. Evolution of the metallic copper surface at the oxidation in CCl4-DMF. Russ J Gen Chem. 2013, 83(6), 1013–1020. DOI:10.1134/s1070363213060017.
- Panteleev S.V., Maslennikov S.V., Ignatov S.K., Spirina I.V. EVOLUTION OF THE COPPER SURFACE IN THE COURSE OF OXIDATION BY CCl4-L (L=THF, DMF, DMSO). SCANNING PROBE MICROSCOPE STUDY. Surf Rev Lett. 2013, 20(3–4). DOI:10.1142/s0218625x13500236.
- Panteleev S.V., Ignatov S.K., Maslennikov S.V., Spirina I.V., Razuvaev A.G., Belyaev S.N. Quantum-chemical study of the Grignard reaction mechanism within the cluster model of reaction center. Comput Theor Chem. 2013, 1012, 60–71. DOI:10.1016/j.comptc.2013.02.011.
- Panteleev S.V., Ignatov S.K., Maslennikov S.V., Razuvaev A.G., Spirina I.V. Thermodynamics and reactivity for the interconversion of active sites on a magnesium surface in the Grignard reaction. Russ J Phys Chem B. 2013, 7(1), 76–87. DOI:10.1134/s1990793113010053.
- Khalimon A.Y., Ignatov S.K., Okhapkin A.I., Simionescu R., Kuzmina L.G., Howard J.A.K., Nikonov G.I. Unusual Structure, Fluxionality, and Reaction Mechanism of Carbonyl Hydrosilylation by Silyl Hydride Complex (ArN)Mo(H)(SiH2Ph)(PMe3)3. Chem-Eur J. 2013, 19(26), 8573–8590. DOI:10.1002/chem.201300376.
- Gadzhiev O.B., Ignatov S.K., Kulikov M.Y., Feigin A.M., Razuvaev A.G., Sennikov P.G., Schrems O. Structure, Energy, and Vibrational Frequencies of Oxygen Allotropes O-n (n <= 6) in the Covalently Bound and van der Waals Forms: Ab Initio Study at the CCSD(T) Level. J Chem Theory Comput. 2013, 9(1), 247–262. DOI:10.1021/ct3006584.
- Kulikov M.Y., Vadimova O.L., Ignatov S.K., Feigin A.M. The mechanism of non-linear photochemical oscillations in the mesopause region. Nonlinear Process Geophys. 2012, 19(5), 501–512. DOI:10.5194/npg-19–501-2012.
- Khalimon A.Y., Ignatov S.K., Simionescu R., Kuzmina L.G., Howard J.A.K., Nikonov G.I. An Unexpected Mechanism of Hydrosilylation by a Silyl Hydride Complex of Molybdenum. Inorg Chem. 2012, 51(2), 754–756. DOI:10.1021/ic201550a.
- Ignatov S.K., Panteleev S.V., Maslennikov S.V., Spirina I.V. Mechanism of the Grignard reaction in terms of the cluster model of reaction center. A quantum-chemical study. Russ J Gen Chem. 2012, 82(12), 1954–1961. DOI:10.1134/s1070363212120080.
- Gadzhiev O.B., Ignatov S.K., Krisyuk B.E., Maiorov A.V., Gangopadhyay S., Masunov A.E. Quantum Chemical Study of the Initial Step of Ozone Addition to the Double Bond of Ethylene. J Phys Chem A. 2012, 116(42), 10420–10434. DOI:10.1021/jp307738p.
- Kulikov M.Y., Feigin A.M., Ignatov S.K., Sennikov P.G., Bluszcz T., Schrems O. Technical Note: VUV photodesorption rates from water ice in the 120–150 K temperature range — significance for Noctilucent Clouds. Atmos Chem Phys. 2011, 11(4), 1729–1734. DOI:10.5194/acp-11–1729-2011.
- Ignatov S.K., Gadzhiev O.B., Kuikov M.Y., Petrov A.I., Razuvaev A.G., Gand M., Feigin A.M., Schrems O. Adsorption of Methyl Hydroperoxide (CH3OOH) on Water Ice. Theoretical Study with Systematic Assessment of Coordination Modes. J Phys Chem C. 2011, 115(18), 9081–9089. DOI:10.1021/jp112177x.
- Gadzhiev O.B., Ignatov S.K., Gangopadhyay S., Masunov A.E., Petrov A.I. Mechanism of Nitric Oxide Oxidation Reaction (2NO+O-2 -> 2NO(2)) Revisited. J Chem Theory Comput. 2011, 7(7), 2021–2024. DOI:10.1021/ct100754m.
- Sennikov P.G., Ignatov S.K., Schrems O. Identification of the products of partial hydrolysis of silicon tetrafluoride by matrix isolation IR spectroscopy. Russ J Inorg Chem. 2010, 55(3), 413–420. DOI:10.1134/s0036023610030198.
- Ignatov S.K., Vyshinskii N.N., Razuvaev A.G. The statistical integrals of bound and quasi-bound states of gas phase complexes formed by symmetrical nonpoint monomers. Russ J Phys Chem B. 2010, 4(1), 44–52. DOI:10.1134/s1990793110010070.
- Ignatov S.K., Razuvaev A.G., Leont’eva A.A., Mikheikin I.D. The thermodynamic parameters of phonon-soliton equilibrium in one-dimensional Frenkel-Kontorova systems. Russ J Phys Chem B. 2010, 4(1), 16–19. DOI:10.1134/s1990793110010033.
- Sennikov P.G., Ignatov S.K., Sadov A.E., Razuvaev A.G., Schrems O. Quantum-Chemical Calculation of the Thermodynamics of Multistep Hydrolysis of MX4 Molecules (M = C, Si, Ge; X = H, F, Cl) in the Gas Phase. Russ J Inorg Chem. 2009, 54(2), 252–259. DOI:10.1134/s0036023609020144.
- Ignatov S.K., Razuvaev A.G., Sennikov P.G., Schrems O. H2O2 adsorption on the ice Ih surface. Theoretical study with systematic assessment of the orientation isomerism of the hydrogen bond network. Theochem-J Mol Struct. 2009, 908(1–3), 47–54. DOI:10.1016/j.theochem.2009.05.003.
- Ignatov S.K., Khalimon A.Y., Rees N.H., Razuvaev A.G., Mountford P., Nikonov G.I. beta-Agostic Silylamido and Silyl-Hydrido Compounds of Molybdenum and Tungsten. Inorg Chem. 2009, 48(20), 9605–9622. DOI:10.1021/ic900591e.
- Gadzhiev O.B., Ignatov S.K., Razuvaev A.G., Masunov A.E. Quantum Chemical Study of Trimolecular Reaction Mechanism between Nitric Oxide and Oxygen in the Gas Phase. J Phys Chem A. 2009, 113(32), 9092–9101. DOI:10.1021/jp900484s.
- Panteleev S.V., Ignatov S.K., Maslennikov S.V. Adsorption of solvent and oxidant molecules on magnesium surface: effect on the electronic structure and reactivity of magnesium in reactions of Grignard reagent formation. Russ Chem Bull. 2008, 57(3), 468–479. DOI:10.1007/s11172-008‑0074-z.
- Ignatov S.K., Rees N.H., Merkoulov A.A., Dubberley S.R., Razuvaev A.G., Mountford P., Nikonov G.I. Non-innocent behaviour of imido ligands in the reactions of silanes with half-sandwich imido complexes of Nb and V: A silane/imido coupling route to compounds with nonclassical Si-H interactions. Chem-Eur J. 2008, 14(1), 296–310. DOI:10.1002/chem.200700271.
- Ignatov S.K., Rees N.H., Merkoulov A.A., Dubberley S.R., Razuvaev A.G., Mountford P., Nikonov G.I. Silyl Hydrides of Tantalum Supported by Cyclopentadienyl-imido Ligand Sets: Syntheses, X-ray, NMR, and DFT Studies. Organometallics. 2008, 27(22), 5968–5977. DOI:10.1021/om800553y.
- Ignatov S.K., Kolomiitsova T.D., Mielke Z., Razuvaev A.G., Shchepkin D.N., Tokhadze K.G. A matrix isolation and theoretical study of SiF4 dimers spectra. Chem Phys. 2006, 324(2–3), 753–766. DOI:10.1016/j.chemphys.2006.01.018.
- Chuprov L.A., Sennikov P.G., Tokhadze K.G., Ignatov S.K., Schrems O. High-resolution Fourier-transform IR spectroscopic determination of impurities in silicon tetrafluoride and silane prepared from it. Inorg Mater. 2006, 42(8), 924–931. DOI:10.1134/s0020168506080231.
- Sennikov P.G., Ignatov S.K., Schrems O. Complexes and clusters of water relevant to atmospheric chemistry: H2O complexes with oxidants. ChemPhysChem. 2005, 6(3), 392–412. DOI:10.1002/cphc.200400405.
- Grishin D.F., Shchepalov A.A., Telegina E.V., Ignatov S.K., Razuvaev A.G., Semenycheva L.L. Free-radical polymerization of styrene and methyl methacrylate in the presence of dicyclopentadienyltitanium dichloride: Experimental study and quantum-chemical modeling. Polym Sci Ser A. 2005, 47(6), 574–581.
- Burtsev A.P., Bocharov V.N., Ignatov S.K., Kolomiitsova T.D., Sennikov P.G., Tokhadze K.G., Chuprov L.A., Shchepkin D.N., Schrems O. Integral intensities of absorption bands of silicon tetrafluoride in the gas phase and cryogenic solutions: Experiment and calculation. Opt Spectrosc. 2005, 98(2), 227–234. DOI:10.1134/1.1870065.
- Ignatov S.K., Sennikov P.G., Razuvaev A.G., Schrems O. Ab-initio and DFT study of the molecular mechanisms of SO3 and SOCl2 reactions with water in the gas phase. J Phys Chem A. 2004, 108(16), 3642–3649. DOI:10.1021/jp038041f.
- Ignatov S.K., Rees N.H., Tyrrell B.R., Dubberley S.R., Razuvaev A.G., Mountford P., Nikonov G.I. Nonclassical titanocene silyl hydrides. Chem-Eur J. 2004, 10(20), 4991–4999. DOI:10.1002/chem.200400230.
- Ignatov S.K., Rees N.H., Dubberley S.R., Razuvaev A.G., Mountford P., Nikonov G.I. Unexpected features of stretched Si-H center dot center dot center dot Mo beta-agostic interactions. Chem Commun. 2004;10.1039/b315517j(8), 952–953. DOI:10.1039/b315517j.
- Grishin D.F., Ignatov S.K., Shchepalov A.A., Razuvaev A.G. Mechanism of the controlled radical polymerization of styrene and methyl methacrylate in the presence of dicyclopentadienyltitanium dichloride. Appl Organomet Chem. 2004, 18(6), 271–276. DOI:10.1002/aoc.631.
- Ignatov S.K., Sennikov P.G., Razuvaev A.G., Chuprov L.A., Schrems O., Ault B.S. Theoretical study of the reaction mechanism and role of water clusters in the gas-phase hydrolysis of SiCl4. J Phys Chem A. 2003, 107(41), 8705–8713. DOI:10.1021/jp034618h.
- Ignatov S.K., Sennikov P.G., Jacobi H.W., Razuvaev A.G., Schrems O. Surface species formed during UV photolysis of ozone adsorbed on water ice films at 80 K. A combined RA-FTIR and DFT study. Phys Chem Chem Phys. 2003, 5(3), 496–505. DOI:10.1039/b208256j.
- Ignatov S.K., Sennikov P.G., Chuprov L.A., Razuvaev A.G. Thermodynamic and kinetic parameters of elementary steps in gas-phase hydrolysis of SiF4 center dot quantum-chemical and FTIR spectroscopic studies. Russ Chem Bull. 2003, 52(4), 837–845. DOI:10.1023/a:1024431805512.
- Dubberley S.R., Ignatov S.K., Rees N.H., Razuvaev A.G., Mountford P., Nikonov G.I. Are J(Si-H) NMR coupling constants really a probe for the existence of nonclassical H-Si interactions? J Am Chem Soc. 2003, 125(3), 642–643. DOI:10.1021/ja027935v.
- Razuvaev A.G., Mashin A.I., Shchepalov A.A., Ignatov S.K., Mashin N.I., Khokhlov A.F. Polyconjugated silicon polymers. J Struct Chem. 2001, 42(3), 347–354. DOI:10.1023/a:1012492400755.
- Nikonov G.L., Mountford P., Ignatov S.K., Green J.C., Leech M.A., Kuzmina L.G., Razuvaev A.G., Rees N.H., Blake A.J., Howard J.A.K., Lemenovskii D.A. Surprising diversity of non-classical silicon-hydrogen interactions in half-sandivich complexes of Nb and Ta: M-H center dot center dot center dot Si-Cl interligand hypervalent interaction (IHI) versus stretched and unstretched beta-Si-H center dot center dot center dot M agostic bonding. J Chem Soc-Dalton Trans. 2001;10.1039/b103362j(19), 2903–2915. DOI:10.1039/b103362j.
- Ignatov S.K., Sennikov P.G., Razuvaev A.G., Simdyanov I.V., Tokhadze K.G. Quantum-chemical study of structural, spectral, and electrooptical parameters of fluorosilanes SiH4-xFx (x=0–4). Opt Spectrosc. 2001, 90(5), 654–663. DOI:10.1134/1.1374651.
- Ignatov S.K., Sennikov P.G., Razuvaev A.G., Chuprov L.A. Binary molecular complexes of silicon tetrafluoride with water, methanol, and dimethyl ether. Quantum-chemical study. Russ Chem Bull. 2001, 50(12), 2316–2324. DOI:10.1023/a:1015015008882.
- Grishin D.F., Ignatov S.K., Razuvaev A.G., Kolyakina E.V., Shchepalov A.A., Pavlovskaya M.V., Semenycheva L.L. Experimental and theoretical quantum-chemical study of radical polymerization in the presence of nitroxyl radicals. Polym Sci Ser A. 2001, 43(10), 989–994.
- Bagatur’yants A.A., Ignatov S.K., Razuvaev A.G., Gropen O. Structure and vibrational frequencies of di- and monomethyl aluminum, zinc, and boron derivatives on a chemically modified SiO2 surface. Mater Sci Semicond Process. 2000, 3(1–2), 71–77. DOI:10.1016/s1369-8001(00)00018–4.
- Sennikov P.G., Ikrin M.A., Ignatov S.K., Bagatur’yants A.A., Klimov E.Y. IR spectroscopic and ab initio quantum-chemical study of the products of hydrolysis of silicon tetrafluoride at low water concentrations. Russ Chem Bull. 1999, 48(1), 93–97. DOI:10.1007/bf02494407.
- Molotovshchikova M.B., Sedova L.G., Razuvaev A.G., Ignatov S.K., Podol’skaya N.I., Artemov A.N. Formation of chromium-containing complexes on a silica surface activated at 600 degrees C. Chem Phys Rep. 1999, 18(2), 239–247.
- Mashin A.I., Khokhlov A.F., Ignatov S.K., Shchepalov A.A., Razuvaev A.G. Role of impurities in the formation of silicyne (long-chain silicon): theory and experiment. Semiconductors. 1999, 33(10), 1139–1144. DOI:10.1134/1.1187883.
- Korshunov I.A., Razuvaev A.G., Ignatov S.K., Lebedeva E.A., Chadov A.Y., Filatov D.O., Kraev I.A. Changes in the crystal structure of copper chromite during catalytic oxidation of carbon monoxide. Russ J Phys Chem. 1999, 73(9), 1410–1412.
- Ignatov S.K., Sennikov P.G., Ault B.S., Bagatur’yants A.A., Simdyanov I.V., Razuvaev A.G., Klimov E.J., Gropen O. Water complexes and hydrolysis of silicon tetrafluoride in the gas phase: An ab initio study. J Phys Chem A. 1999, 103(41), 8328–8336. DOI:10.1021/jp9919819.
- Ignatov S.K., Razuvaev A.G., Grishin D.F., Kuznetsov M.V. Quantum-chemical investigation of the coordination-radical methyl acrylate polymerization on boron-containing initiators. Vysokomol Soedin. 1999, 41(10), 1587–1594.
- Ignatov S.K., Razuvaev A.G., Bagatur’yants A.A., Alfimov M.V., Gropen O. STRUCTURE, COORDINATION, AND VIBRATIONAL FREQUENCIES OF DI- AND MONOMETHYL ALUMINUM, ZINC, AND BORON DERIVATIVES ON A CHEMICALLY MODIFIED SIO2 SURFACE. Acta Crystallogr Sect A. 1999, 55, 67–67.
- Ignatov S.K., Bagatur’yants A.A., Razuvaev A.G., Alfimov M.V., Molotovshchikova M.B., Dodonov V.A. Structure and coordination of organometallic groups on a chemically modified SiO2 surface. Russ Chem Bull. 1998, 47(7), 1257–1265. DOI:10.1007/bf02495544.
- Ignatov S.K., Razuvaev A.G., Molotovshchikova M.B. Energetics and reactivity of active centers on the highly active silicon surface. Khimicheskaya Fiz. 1996, 15(5), 150–158.
- Ignatov S.K., Razuvaev A.G., Kokorev V.N., Alexandrov Y.A. Extension of the PM3 method on s,p,d basis. Test calculations on organochromium compounds. J Phys Chem. 1996, 100(15), 6354–6358. DOI:10.1021/jp9528572.
- Zorin A.D., Ignatov S.K., Podolskaya N.I., Razuvaev A.G. Interaction of trichloroarsine and beta-chlorovinyldichloroarsine with ammonia. Zhurnal Obshchei Khimii. 1995, 65(10), 1673–1678.
- Skatova A.A., Ignatov S.K., Dodonov V.A., Razuvaev A.G., Druzhkov O.N. Reactions of dimethylzinc on Aerosil. Russ Chem Bull. 1995, 44(10), 1832–1836. DOI:10.1007/bf00707205.
- Razuvaev A.G., Ignatov S.K., Kokorev V.N. BIPOLAR DECOMPOSITION OF OHO POTENTIAL AND THE CALCULATION OF 2-ELECTRON MOLECULAR INTEGRALS BY MNDO QUANTUM-CHEMICAL TECHNIQUES. Khimicheskaya Fiz. 1995, 14(8), 177–192.
- Molotovshchikova M.B., Dodonov V.A., Lysenko G.N., Ignatov S.K., Razuvaev A.G. Active centers on the surface of thermoactivated silica. Their reactivity toward organoaluminum compounds. Russ Chem Bull. 1995, 44(10), 1827–1831. DOI:10.1007/bf00707204.
- Ignatov S.K., Semchikov Y.D., Izvolenskii V.V. QUANTUM-CHEMICAL CALCULATIONS OF THE ELECTRONIC PARAMETERS OF DOUBLE-BONDS BETWEEN VINYL MONOMERS AND HETEROATOMS. Vysokomol Soedin. 1995, 37(4), 709–712.
- Ignatov S.K., Razuvaev A.G., Kokorev V.N., Aleksandrov Y.A. Semiempirical calculation of two-electron integrals using bipolar expansion of the Ohno potential. J Struct Chem. 1995, 36(4), 538–543. DOI:10.1007/bf02578642.
- Ignatov S.K., Razuvaev A.G., Kokorev V.N. CALCULATION OF 2-CENTER 2-ELECTRON INTEGRALS IN THE SLATER S,P,D-BASIS SET FOR THE ONO ELECTRON-ELECTRON POTENTIAL. J Struct Chem. 1994, 35(4), 443–446. DOI:10.1007/bf02578353.
- Ignatov S.K., Razuvaev A.G. MNDO PARAMETERS FOR AS ATOMS. J Struct Chem. 1994, 35(2), 276–277. DOI:10.1007/bf02578323.