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A theoretical study of the hydrogen molecule activation by the Ni2 cluster, nickel phthalocyanine and a complex formed by nickel phthalocyanine with the Ni2 cluster

Viktor Mikhailovich Mamaev 1
Viktor Mikhailovich Mamaev
, 
Kirill Vladimirovich Ermakov 1
Kirill Vladimirovich Ermakov
,  , 
Mikhael N Gradoboev 1
Mikhael N Gradoboev
, 
Sergei Yakovlevich Ishchenko 1
Sergei Yakovlevich Ishchenko
, 
Dmitrii Anatol'evich Lemenovskii 1
Dmitrii Anatol'evich Lemenovskii
10.1070/MC2001v011n05ABEH001473
Published 2001-10-23
Communication , Volume 11, Issue 5, 190-192
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Mamaev V. M. et al. A theoretical study of the hydrogen molecule activation by the Ni2 cluster, nickel phthalocyanine and a complex formed by nickel phthalocyanine with the Ni2 cluster // Mendeleev Communications. 2001. Vol. 11. No. 5. pp. 190-192.
GOST all authors (up to 50) Copy
Mamaev V. M., Ermakov K. V., Gloriozov I. P., Gradoboev M. N., Ishchenko S. Y., Lemenovskii D. A. A theoretical study of the hydrogen molecule activation by the Ni2 cluster, nickel phthalocyanine and a complex formed by nickel phthalocyanine with the Ni2 cluster // Mendeleev Communications. 2001. Vol. 11. No. 5. pp. 190-192.
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TY - JOUR
DO - 10.1070/MC2001v011n05ABEH001473
UR - https://mendcomm.colab.ws/publications/10.1070/MC2001v011n05ABEH001473
TI - A theoretical study of the hydrogen molecule activation by the Ni2 cluster, nickel phthalocyanine and a complex formed by nickel phthalocyanine with the Ni2 cluster
T2 - Mendeleev Communications
AU - Mamaev, Viktor Mikhailovich
AU - Ermakov, Kirill Vladimirovich
AU - Gloriozov, Igor Pavlovich
AU - Gradoboev, Mikhael N
AU - Ishchenko, Sergei Yakovlevich
AU - Lemenovskii, Dmitrii Anatol'evich
PY - 2001
DA - 2001/10/23
PB - Mendeleev Communications
SP - 190-192
IS - 5
VL - 11
ER -
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@article{2001_Mamaev,
author = {Viktor Mikhailovich Mamaev and Kirill Vladimirovich Ermakov and Igor Pavlovich Gloriozov and Mikhael N Gradoboev and Sergei Yakovlevich Ishchenko and Dmitrii Anatol'evich Lemenovskii},
title = {A theoretical study of the hydrogen molecule activation by the Ni2 cluster, nickel phthalocyanine and a complex formed by nickel phthalocyanine with the Ni2 cluster},
journal = {Mendeleev Communications},
year = {2001},
volume = {11},
publisher = {Mendeleev Communications},
month = {Oct},
url = {https://mendcomm.colab.ws/publications/10.1070/MC2001v011n05ABEH001473},
number = {5},
pages = {190--192},
doi = {10.1070/MC2001v011n05ABEH001473}
}
MLA
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Mamaev, Viktor Mikhailovich, et al. “A theoretical study of the hydrogen molecule activation by the Ni2 cluster, nickel phthalocyanine and a complex formed by nickel phthalocyanine with the Ni2 cluster.” Mendeleev Communications, vol. 11, no. 5, Oct. 2001, pp. 190-192. https://mendcomm.colab.ws/publications/10.1070/MC2001v011n05ABEH001473.

Abstract

A new system based on the addition of the Ni2 cluster to a mononuclear phthalocyanine complex with an energy stability of about 26 kcal mol–1 was suggested for the barrierless activation of the H–H bond.

References

3.
IR Flash Kinetic Spectroscopy of C-H Bond Activation of Cyclohexane-d0 and -d12 by Cp*Rh(CO)2 in Liquid Rare Gases: Kinetics, Thermodynamics, and Unusual Isotope Effect
Schultz R.H., Bengali A.A., Tauber M.J., Weiller B.H., Wasserman E.P., Kyle K.R., Moore C.B., Bergman R.G.
Journal of the American Chemical Society, 1994
6.
10.1070/MC2001v011n05ABEH001473_bib6
Borisenkova
Neftekhimiya, 1991
7.
10.1070/MC2001v011n05ABEH001473_bib7
Romanovskii
Kinet. Katal., 1999
8.
10.1070/MC2001v011n05ABEH001473_bib8_1
Borisenkova
Vestn. Mosk. Univ., Ser. 2: Khim., 1984
9.
Catalytic Properties of Cobalt Phthalocyanines Chemically Bonded to Polymer Anchored onto Silochrome Surface
BORISENKOVA S.A., GIRENKO E.G., GHERASSIMOV B.G., MAZYARKINA L.M., EROFEEVA V.P., DERKACHEVA V.M., KALIYA O.L., LUKYANETS E.A.
Journal of Porphyrins and Phthalocyanines, 2004
15.
Activation of CH4 and H2 by zirconium(IV) and titanium(IV) cationic complexes. Theoretical DFT study
Ustynyuk Y.A., Ustynyuk L.Y., Laikov D.N., Lunin V.V.
Journal of Organometallic Chemistry, 2000
16.
Gas Phase Reactions of Second-Row Transition Metal Atoms with Small Hydrocarbons: Experiment and Theory
Carroll J.J., Haug K.L., Weisshaar J.C., Blomberg M.R., Siegbahn P.E., Svensson M.
The Journal of Physical Chemistry, 1995
18.
Mamaev V.M., Gloriozov I.P., Lemenovskii D.A., Babin Y.V.
Mendeleev Communications, 2000
19.
Mamaev V.M., Gloriozov I.P., Simonyan V.V., Zernova E.V., Prisyajnyuk A.V., Ustynyuk Y.A.
Mendeleev Communications, 1997
20.
A theoretical study of the reactivity of palladium clusters with methane
Blomberg M.R., Siegbahn P.E., Svensson M.
The Journal of Physical Chemistry, 1992
21.
Structure of products of H-H and C-H bond activation by Ni atom, Ni2 cluster, and Ni-porphyrin complex of Ni2 cluster
Mamaev V.M., Gloriozov I.P., Lemenovskii D.A., Zernova E.V.
Kinetics and Catalysis, 2000
22.
Density functional theory prediction of the second-order hyperpolarizability of metalloporphines
Matsuzawa N., Ata M., Dixon D.A.
The Journal of Physical Chemistry, 1995
23.
Equilibrium Geometries and Electronic Structure of Iron−Porphyrin Complexes:  A Density Functional Study
Rovira C., Kunc K., Hutter J., Ballone P., Parrinello M.
Journal of Physical Chemistry A, 1997
24.
Generalized Gradient Approximation Made Simple
Perdew J.P., Burke K., Ernzerhof M.
Physical Review Letters, 1996
26.
Transition Metal Polyhydrides:  From Qualitative Ideas to Reliable Computational Studies
Maseras F., Lledós A., Clot E., Eisenstein O.
Chemical Reviews, 2000