Publications

List of selected publications

Journal Articles referenced on WoS (October, 2015)

  1. Zasovskaya, M. A.; Ignatov, S. K. Molecular pathways of SOCl2 hydrolysis within mono- and diaqua complexes. A quantum chemical study. Computational and Theoretical Chemistry 2015, 1069, 56-65.
  2. 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. Journal of Physical Chemistry C 2014, 118 (14), 7398-7413.
  3. 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 Transactions 2014, 43 (22), 8446-8453.
  4. 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. Journal of Chemical Theory and Computation 2013, 9 (1), 247-262.
  5. 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. Chemistry-a European Journal 2013, 19 (26), 8573-8590.
  6. 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. Surface Review and Letters 2013, 20 (3-4).
  7. 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. Russian Journal of General Chemistry 2013, 83 (6), 1013-1020.
  8. 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. Computational and Theoretical Chemistry 2013, 1012, 60-71.
  9. 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. Russian Journal of Physical Chemistry B 2013, 7 (1), 76-87.
  10. 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. Inorganic Chemistry 2012, 51 (2), 754-756.
  11. 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. Journal of Physical Chemistry A 2012, 116 (42), 10420-10434.
  12. Kulikov, M. Y.; Vadimova, O. L.; Ignatov, S. K.; Feigin, A. M. The mechanism of non-linear photochemical oscillations in the mesopause region. Nonlinear Processes in Geophysics 2012, 19 (5), 501-512.
  13. 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. Russian Journal of General Chemistry 2012, 82 (12), 1954-1961.
  14. 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. Atmospheric Chemistry and Physics 2011, 11 (4), 1729-1734.
  15. 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. Journal of Physical Chemistry C 2011, 115 (18), 9081-9089.
  16. 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. Journal of Chemical Theory and Computation 2011, 7 (7), 2021-2024.
  17. 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. Russian Journal of Physical Chemistry B 2010, 4 (1), 44-52.
  18. 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. Russian Journal of Physical Chemistry B 2010, 4 (1), 16-19.
  19. Sennikov, P. G.; Ignatov, S. K.; Schrems, O. Identification of the products of partial hydrolysis of silicon tetrafluoride by matrix isolation IR spectroscopy. Russian Journal of Inorganic Chemistry 2010, 55 (3), 413-420.
  20. 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. Journal of Physical Chemistry A 2009, 113 (32), 9092-9101.
  21. 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. Russian Journal of Inorganic Chemistry 2009, 54 (2), 252-259.
  22. 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. Inorganic Chemistry 2009, 48 (20), 9605-9622.
  23. 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. Journal of Molecular Structure-Theochem 2009, 908 (1-3), 47-54.
  24. 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. Russian Chemical Bulletin 2008, 57 (3), 468-479.
  25. 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. Chemistry-a European Journal 2008, 14 (1), 296-310.
  26. 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.
  27. 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. Inorganic Materials 2006, 42 (8), 924-931.
  28. 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. Chemical Physics 2006, 324 (2-3), 753-766.
  29. 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.
  30. 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. Optics and Spectroscopy 2005, 98 (2), 227-234.
  31. 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. Polymer Science Series A 2005, 47 (6), 574-581.
  32. 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. Chemical Communications 2004, (8), 952-953.
  33. Ignatov, S. K.; Rees, N. H.; Tyrrell, B. R.; Dubberley, S. R.; Razuvaev, A. G.; Mountford, P.; Nikonov, G. I. Nonclassical titanocene silyl hydrides. Chemistry-a European Journal 2004, 10 (20), 4991-4999.
  34. 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. Applied Organometallic Chemistry 2004, 18 (6), 271-276.
  35. 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. Journal of Physical Chemistry A 2004, 108 (16), 3642-3649.
  36. 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. Russian Chemical Bulletin 2003, 52 (4), 837-845.
  37. 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? Journal of the American Chemical Society 2003, 125 (3), 642-643.
  38. 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. Physical Chemistry Chemical Physics 2003, 5 (3), 496-505.
  39. 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. Journal of Physical Chemistry A 2003, 107 (41), 8705-8713.
  40. 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. Journal of the Chemical Society-Dalton Transactions 2001, (19), 2903-2915.
  41. Razuvaev, A. G.; Mashin, A. I.; Shchepalov, A. A.; Ignatov, S. K.; Mashin, N. I.; Khokhlov, A. F. Polyconjugated silicon polymers. Journal of Structural Chemistry 2001, 42 (3), 347-354.
  42. 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. Russian Chemical Bulletin 2001, 50 (12), 2316-2324.
  43. 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). Optics and Spectroscopy 2001, 90 (5), 654-663.
  44. 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. Polymer Science Series A 2001, 43 (10), 989-994.
  45. 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. Materials Science in Semiconductor Processing 2000, 3 (1-2), 71-77.
  46. 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. Vysokomolekulyarnye Soedineniya Seriya a & Seriya B 1999, 41 (10), 1587-1594.
  47. 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. Journal of Physical Chemistry A 1999, 103 (41), 8328-8336.
  48. 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. Russian Journal of Physical Chemistry 1999, 73 (9), 1410-1412.
  49. 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.
  50. 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. Russian Chemical Bulletin 1999, 48 (1), 93-97.
  51. 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. Chemical Physics Reports 1999, 18 (2), 239-247.
  52. 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. Russian Chemical Bulletin 1998, 47 (7), 1257-1265.
  53. 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. Journal of Physical Chemistry 1996, 100 (15), 6354-6358.
  54. Ignatov, S. K.; Razuvaev, A. G.; Molotovshchikova, M. B. Energetics and reactivity of active centers on the highly active silicon surface. Khimicheskaya Fizika 1996, 15 (5), 150-158.
  55. 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. Russian Chemical Bulletin 1995, 44 (10), 1827-1831.
  56. 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. Journal of Structural Chemistry 1995, 36 (4), 538-543.
  57. Ignatov, S. K.; Semchikov, Y. D.; Izvolenskii, V. V. QUANTUM-CHEMICAL CALCULATIONS OF THE ELECTRONIC PARAMETERS OF DOUBLE-BONDS BETWEEN VINYL MONOMERS AND HETEROATOMS. Vysokomolekulyarnye Soedineniya Seriya a & Seriya B 1995, 37 (4), 709-712.
  58. 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. Journal of Structural Chemistry 1994, 35 (4), 443-446.
  59. 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 Fizika 1995, 14 (8), 177-192.
  60. Skatova, A. A.; Ignatov, S. K.; Dodonov, V. A.; Razuvaev, A. G.; Druzhkov, O. N. Reactions of dimethylzinc on Aerosil. Russian Chemical Bulletin 1995, 44 (10), 1832-1836.
  61. 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.
  62. Ignatov, S. K.; Razuvaev, A. G. MNDO PARAMETERS FOR AS ATOMS. Journal of Structural Chemistry 1994, 35 (2), 276-277.