Search Results - "Gloriozov, I. P"

Titanyl complexes with 1,10-phenanthroline-based diols by Mankaev, B. N., Agaeva, M. U., Tarasevich, B. N., Gloriozov, I. P., Egorov, M. P., Karlov, S. S.

“…The reaction of the O,N,N,O-type ligands, namely, 4,7-bis(4- tert -butylphenoxy) 2 -2,9-(HOCRR’CH) 2 -1,10-phenanthrolines, LH 2 (R = R′ = Ph (1) , RR ′ = −(CH…”
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exo- and endo-Complexes of Fe(0) with Carbon Allotropic Modifications on the Example of Fullerene С60: a Density Function Theory Study by Zaitsev, K. V., Oprunenko, A. Yu, Gloriozov, I. P., Nechaev, M. S., Oprunenko, Yu. F., Kuznetsov, A. E.

“…Structures of exo - and endo -complexes of fullerene C 60 with zero-valent Fe 0 , in which the metal is localized inside and outside fullerene molecule,…”
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Influence of Ion Pairing in Inter-Ring Haptotropic Rearrangements in Cationic Cyclopentadienyl Complexes of Ruthenium with Naphthalene: A DFT Investigation by Fetisov, E. O, Gloriozov, I. P, Oprunenko, Yu. F, Saillard, J.-Y, Kahlal, S

“…DFT calculations have been performed on the naphthalene cationic complex η6-C10H8RuCp+ in the presence of different anions. In a first step, geometry…”
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Cyclization of N-arylcyclopropanecarboxamides into N-arylpyrrolidin-2-ones under electron ionization and in the condensed phase by Lebedev, A. T., Mazur, D. M., Kudelin, A. I., Fedotov, A. N., Gloriozov, I. P., Ustynyuk, Yu. A., Artaev, V. B.

“…Rationale Mass spectrometry is known as an excellent method to predict the behavior of organic compounds in solution. The behavior of organic compounds in the…”
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Quantum chemical study of the structures and dynamic behavior of tricarbonyl complexes of Group 6 metals (Cr, Mo, W) with polyaromatic hydrocarbons using the density functional theory by Zhulyaev, N. S., Gloriozov, I. P., Oprunenko, Yu. F., Saillard, J.-Y.

“…The quantum chemical study of the mechanism was performed for tricarbonyl η 6 -complexes of coronene I-M and kekulene II-M (M = Cr, Mo, W) by the density…”
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New benzo[f]quinolino[3,4-b][1,7]naphthyridine-6,8(5H,9H)-diones: synthesis, electronic, molecular, and crystal structures. Protonation and complexation with lanthanum and europium salts by Ustynyuk, N. A., Lavrov, H. V., Zarubin, D. N., Dolgushin, F. M., Ezernitskaya, M. G., Gloriozov, I. P., Zhokhov, S. S., Zhokhova, N. I., Ustynyuk, Yu. A.

“…A series of novel benzo[ f ]quinolino[3,4- b ][1,7]naphthyridine-6,8(5 H ,9 H )-diones, which are promising ligands for the extractive separation of actinides…”
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DFT study of chromium tricarbonyl complexes of coronene and kekulene by Zhulyaev, N. S., Gloriozov, I. P., Oprunenko, Yu. F., Saillard, J.-Y.

“…A quantum chemical study of the mechanism and determination of the activation barriers of intramolecular η 6 ,η 6 -inner-ring haptotropic rearrangements (IHR),…”
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Unusual reaction of bromoalkyl trifluoromethyl ketones with symmetrically disubstituted ethylenediamines. Theoretic investigation applying methods of density functional and multiparticle perturbation theory МР-2 by Gloriozov, I. P., Muzalevskiy, V. M., Rulev, A. Yu, Kondrashov, E. V., Nenajdenko, V. G., Ustynyuk, Yu. A.

“…Mechanism of a multistage reaction between α-bromotrifluoromethylenones and N , N ′-dialkylethylenediamines was examined in detail using quantum chemical…”
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The mechanism of allyl isomerization of unsaturated compounds catalyzed by organomagnesium clusters by Gloriozov, I. P., Smirnov, V. V., Potapov, D. A., Tyurina, L. A.

“…The paper presents a density functional theory investigation of the mechanism of allyl isomerization of olefins on magnesium clusters for the example of the…”
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First example of a rapid reversible inter-ring .eta.5,.eta.5-haptotropic rearrangement in an anionic metal tricarbonyl complex containing a dibenzopentalene ligand by Ustynyuk, Yu. A, Trifonova, O. I, Oprunenko, Yu. F, Mstislavskii, V. I, Gloriozov, I. P, Ustynyuk, N. A

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Intramolecular noncovalent interactions: Bis(toluene)chromium(0) conformers by Dem’yanov, P. I., Poleshchuk, P. M., Gloriozov, I. P., Vasil’kov, A. Yu

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exo- and endo-Complexes of Fe with Carbon Allotropic Modifications on the Example of Fullerene С.sub.60: a Density Function Theory Study by Zaitsev, K. V, Oprunenko, A. Yu, Gloriozov, I. P, Nechaev, M. S, Oprunenko, Yu. F, Kuznetsov, A. E

“…Structures of exo- and endo-complexes of fullerene C.sub.60 with zero-valent Fe.sup.0, in which the metal is localized inside and outside fullerene molecule,…”
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Dynamic behavior of 3a,4,4a,8-tetrahydro-4,4,8,8-tetramethyl-tert-butyl-4-stannaindacene by Mstislavsky, V. I., Savel’ev, O. Yu, Gloriozov, I. P.

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Lithiation of tricarbonylchromium complexes with polyaromatic carbo-and heterocyclic ligands. DFT study by Gloriozov, I. P., Zabalov, M. V., Lemenovsky, D. A., Oprunenko, Yu. F.

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Structure of products of H-H and C-H bond activation by Ni atom, Ni2 cluster, and Ni-porphyrin complex of Ni2 cluster by Mamaev, V. M., Gloriozov, I. P., Lemenovskii, D. A., Zernova, E. V.

“…New catalytic systems based on porphyrin complexes of Ni2 cluster and capable of activating C-H and H-H bonds are proposed. DFT calculations showed that a Ni2…”
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Quantum chemical study of butane metathesis on mixed aluminum and cobalt chloride complexes by Shilina, M. I., Gloriozov, I. P., Zhidomirov, G. M.

“…Activated complexes and routes of the model catalytic butane metathesis in the presence of mixed complexes of aluminum and cobalt chlorides were calculated by…”
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Intra- and inter-ring haptotropic rearrangements in (naphthalene and anthracene)nickel complexes: a DFT study by Oprunenko, Yu. F., Gloriozov, I. P.

“…Density functional quantum chemical calculations of the mechanisms of metallotropic η 2 ,η 2 -intra- and η 2 ,η 2 -inter-ring haptotropic rearrangements (HRs)…”
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Quantum chemical study of butane isomerization on clusters of aluminum and cobalt chlorides. Mixed complexes by Shilina, M. I., Gloriozov, I. P., Zhidomirov, G. M.

“…Activated complexes and routes of the model catalytic process, viz. , butane isomerization by the aluminum and cobalt chloride complexes, were calculated by…”
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A density functional study of intra- and interring haptotropic η2,η2 rearrangements in rhodium, ruthenium, and osmium naphthalene complexes by Oprunenko, Yu. F., Gloriozov, I. P.

“…The density functional theory method was used to perform quantum-chemical modeling of the mechanisms of η 2 ,η 2 -intraring (Intra-HR) and η 2 ,η 2 -interring…”
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Intramolecular inter-ring haptotropic rearrangement in iridium naphthalene complexes: a DFT study by Oprunenko, Yu. F., Gloriozov, I. P.

“…Quantum chemical simulation of the inter-ring haptotropic rearrangement (IHR) in iridium naphthalene complexes [η 4 -Ir(C 10 H 8 )L 2 ] + (L = PH 3 , PMe 3 ,…”
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