Zobrazeno 1 - 10
of 59
pro vyhledávání: '"Yu. F. Oprunenko"'
Autor:
K. V. Zaitsev, Yu. F. Oprunenko
Publikováno v:
Russian Journal of General Chemistry. 91:2385-2390
Autor:
Mikhail S. Nechaev, Aleksey E. Kuznetsov, A. Yu. Oprunenko, Kirill V. Zaitsev, Igor P. Gloriozov, Yu. F. Oprunenko
Publikováno v:
Russian Journal of General Chemistry. 91:828-834
Structures of exo- and endo-complexes of fullerene C60 with zero-valent Fe0, in which the metal is localized inside and outside fullerene molecule, respectively, have been strictly revealed with the DFT method. The complexes structures (η6- and η2-
Autor:
N. S. Zhulyaev, Yu. F. Oprunenko, Mikhail S. Nechaev, Jean-Yves Saillard, Franck Gam, Igor P. Gloriozov
Publikováno v:
New Journal of Chemistry
New Journal of Chemistry, Royal Society of Chemistry, 2019, 43 (46), pp.17991-18002. ⟨10.1039/c9nj02187f⟩
New Journal of Chemistry, 2019, 43 (46), pp.17991-18002. ⟨10.1039/c9nj02187f⟩
New Journal of Chemistry, Royal Society of Chemistry, 2019, 43 (46), pp.17991-18002. ⟨10.1039/c9nj02187f⟩
New Journal of Chemistry, 2019, 43 (46), pp.17991-18002. ⟨10.1039/c9nj02187f⟩
International audience; The mechanism of inter-ring haptotropic rearrangements (IRHRs) was investigated by DFT for the tricarbonyl eta(6)-complexes of group 6 metals (M = Cr, Mo, W) of coronene (I-M), kekulene (II-M) and a model graphene (III-M). The
Publikováno v:
Russian Chemical Bulletin
Russian Chemical Bulletin, Springer Verlag, 2017, 66 (7), pp.1163-1176. ⟨10.1007/s11172-017-1868-7⟩
Russian Chemical Bulletin, 2017, 66 (7), pp.1163-1176. ⟨10.1007/s11172-017-1868-7⟩
Russian Chemical Bulletin, Springer Verlag, 2017, 66 (7), pp.1163-1176. ⟨10.1007/s11172-017-1868-7⟩
Russian Chemical Bulletin, 2017, 66 (7), pp.1163-1176. ⟨10.1007/s11172-017-1868-7⟩
International audience; The quantum chemical study of the mechanism was performed for tricarbonyl eta(6)-complexes of coronene I-M and kekulene II-M (M = Cr, Mo, W) by the density functional method. The activation barriers of eta(6),eta(6)-interring
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6b6485fb4fa6908161a5d3f4f6abc4fd
https://hal-univ-rennes1.archives-ouvertes.fr/hal-01671266
https://hal-univ-rennes1.archives-ouvertes.fr/hal-01671266
Publikováno v:
Organometallics. 32:3512-3520
DFT calculations have been performed on the naphthalene cationic complex η6-C10H8RuCp+ in the presence of different anions. In a first step, geometry optimization of the PF6– salt carried out in the presence of 15 solvent molecules for 3 different
Autor:
Yu. F. Oprunenko, Igor P. Gloriozov
Publikováno v:
Moscow University Chemistry Bulletin. 68:29-36
The theoretical modeling (DFT) of frustrated Lewis pairs (FLP) on a biphenylene platform has been carried out and the activation of hydrogen molecules in these systems has been investigated. The possibilities of using these and analogous systems in t
Autor:
Sergey S. Karlov, Marina M. Kireenko, Kirill V. Zaitsev, Yu. F. Oprunenko, Mengmeng Huang, Andrei V. Churakov, Galina S. Zaitseva
Publikováno v:
Chemistry of Heterocyclic Compounds. 47:1584-1589
A study was carried out on the behavior of monomeric germylenes derived from pyridine-containing diols in reactions with diphenylphosphoryl azide and 9,10-phenanthrenequinone. It was found that the germanium atom increases its oxidation state to 4+ i
Autor:
Yu. F. Oprunenko, Igor P. Gloriozov
Publikováno v:
Russian Chemical Bulletin. 60:213-222
Density functional quantum chemical calculations of the mechanisms of metallotropic η2,η2-intra- and η2,η2-inter-ring haptotropic rearrangements (HRs) in 16e zero-valent η2-(naphthalene and anthracene)nickel complexes involving migration of the
Autor:
Yu. F. Oprunenko, Igor P. Gloriozov
Publikováno v:
Russian Chemical Bulletin. 59:2061-2067
Quantum chemical simulation of the inter-ring haptotropic rearrangement (IHR) in iridium naphthalene complexes [η4-Ir(C10H8)L2]+ (L = PH3, PMe3, PPh3) involving migration of organometallic group from one of the aromatic ring to the other, was perfor
Autor:
Yu. F. Oprunenko, I. G. Tananaev, Petr K. Sazonov, M. M. Shtern, Irina P. Beletskaya, M. S. Grigor’ev
Publikováno v:
Russian Journal of Coordination Chemistry. 35:835-843
Two new lariat ethers were obtained from N,N′-diaryldiaza-18-crown-6 (Ar = 2-formyl-4-methylphenyl (II) and 2-benzoyl-4-methylphenyl (III)). In the ethers obtained, the carbonyl O atoms act as additional electron-donating sites. Complexation of lar