Home / Publications / Tunnelling effects in the oxidative addition of a dihydrogen molecule to the palladium ethylenediphosphine complexes [H2P(CH2)2PH2]Pd and [H2P(CH2)2PH2]Pd2

Tunnelling effects in the oxidative addition of a dihydrogen molecule to the palladium ethylenediphosphine complexes [H2P(CH2)2PH2]Pd and [H2P(CH2)2PH2]Pd2

Viktor Mikhailovich Mamaev 1
Viktor Mikhailovich Mamaev
,  , 
Vahan Vladimirovich Simonyan 1
Vahan Vladimirovich Simonyan
, 
Elena Vladimirovna Zernova 1
Elena Vladimirovna Zernova
, 
Eugene Mikhailovich Myshakin 1
Eugene Mikhailovich Myshakin
, 
Yurii Vladimirovich Babin 2
Yurii Vladimirovich Babin
2 Far Eastern State Academy of Economics and Management, Vladivostok, Russian Federation
10.1070/MC2000v010n01ABEH001205
Published 2000-01-27
Communication , Volume 10, Issue 1, 12-14
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Mamaev V. M. et al. Tunnelling effects in the oxidative addition of a dihydrogen molecule to the palladium ethylenediphosphine complexes [H2P(CH2)2PH2]Pd and [H2P(CH2)2PH2]Pd2 // Mendeleev Communications. 2000. Vol. 10. No. 1. pp. 12-14.
GOST all authors (up to 50) Copy
Mamaev V. M., Gloriozov I. P., Simonyan V. V., Zernova E. V., Myshakin E. M., Babin Y. V. Tunnelling effects in the oxidative addition of a dihydrogen molecule to the palladium ethylenediphosphine complexes [H2P(CH2)2PH2]Pd and [H2P(CH2)2PH2]Pd2 // Mendeleev Communications. 2000. Vol. 10. No. 1. pp. 12-14.
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TY - JOUR
DO - 10.1070/MC2000v010n01ABEH001205
UR - https://mendcomm.colab.ws/publications/10.1070/MC2000v010n01ABEH001205
TI - Tunnelling effects in the oxidative addition of a dihydrogen molecule to the palladium ethylenediphosphine complexes [H2P(CH2)2PH2]Pd and [H2P(CH2)2PH2]Pd2
T2 - Mendeleev Communications
AU - Mamaev, Viktor Mikhailovich
AU - Gloriozov, Igor Pavlovich
AU - Simonyan, Vahan Vladimirovich
AU - Zernova, Elena Vladimirovna
AU - Myshakin, Eugene Mikhailovich
AU - Babin, Yurii Vladimirovich
PY - 2000
DA - 2000/01/27
PB - Mendeleev Communications
SP - 12-14
IS - 1
VL - 10
ER -
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@article{2000_Mamaev,
author = {Viktor Mikhailovich Mamaev and Igor Pavlovich Gloriozov and Vahan Vladimirovich Simonyan and Elena Vladimirovna Zernova and Eugene Mikhailovich Myshakin and Yurii Vladimirovich Babin},
title = {Tunnelling effects in the oxidative addition of a dihydrogen molecule to the palladium ethylenediphosphine complexes [H2P(CH2)2PH2]Pd and [H2P(CH2)2PH2]Pd2},
journal = {Mendeleev Communications},
year = {2000},
volume = {10},
publisher = {Mendeleev Communications},
month = {Jan},
url = {https://mendcomm.colab.ws/publications/10.1070/MC2000v010n01ABEH001205},
number = {1},
pages = {12--14},
doi = {10.1070/MC2000v010n01ABEH001205}
}
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Mamaev, Viktor Mikhailovich, et al. “Tunnelling effects in the oxidative addition of a dihydrogen molecule to the palladium ethylenediphosphine complexes [H2P(CH2)2PH2]Pd and [H2P(CH2)2PH2]Pd2.” Mendeleev Communications, vol. 10, no. 1, Jan. 2000, pp. 12-14. https://mendcomm.colab.ws/publications/10.1070/MC2000v010n01ABEH001205.

Abstract

In terms of the reaction-path Hamiltonian formalism, the ligand environment has been found to have almost no effect on the activation barrier in the oxidative addition of H2 to the title complexes (the under-barrier tunnelling in the reaction was predominant at T < 230 K).

References

1.
Reaction-path dynamics for polyatomic systems
Miller W.H.
The Journal of Physical Chemistry, 1983
3.
Synthesis, structure, and unusual reactivity of a d10-d10 palladium(0) dimer
Pan Y., Mague J.T., Fink M.J.
Journal of the American Chemical Society, 1993
4.
Potential energy surfaces for Pt3+H2 and Pd3+H2 systems
Dai D., Liao D.W., Balasubramanian K.
Journal of Chemical Physics, 1995
5.
Density functional study on the activation of methane over Pd2, PdO, and Pd2O clusters
Broclawik E., Yamauchi R., Endou A., Kubo M., Miyamoto A.
International Journal of Quantum Chemistry, 1997
6.
Theoretical study on Pd dimer and trimer interaction with the hydrogen molecule
Castillo S., Cruz A., Bertin V., Poulain E., Arellano J.S., Del Angel G.
International Journal of Quantum Chemistry, 1997
7.
Theoretical study of the activation of alkane carbon-hydrogen and carbon-carbon bonds by different transition metals
Blomberg M.R., Siegbahn P.E., Nagashima U., Wennerberg J.
Journal of the American Chemical Society, 1991
9.
Electronic states and potential energy surfaces of PdH2: Comparison with PtH2
Balasubramanian K., Feng P.Y., Liao M.Z.
Journal of Chemical Physics, 1988
10.
CNDO-S2?a semiempirical SCF MO method for transition metal organometallics
Filatov M.J., Gritsenko O.V., Zhidomirov G.M.
Theoretical Chemistry Accounts, 1987
11.
Mamaev V.M., Gloriozov I.P., Simonyan V.V., Zernova E.V., Prisyajnyuk A.V., Ustynyuk Y.A.
Mendeleev Communications, 1997
12.
10.1070/MC2000v010n01ABEH001205_bib7_2
Mamaev
Dokl. Ross. Akad. Nauk, 1994
13.
Tunnel effects in oxidative addition reaction of methane to bare Pd atom
Mamaev V.M., Gloriozov I.P., Ishchenko S.Y., Simonyan V.V., Myshakin E.M., Prisyajnyuk A.V., Ustynyuk Y.A.
Journal of the Chemical Society Faraday Transactions, 1995
14.
General atomic and molecular electronic structure system
Schmidt M.W., Baldridge K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J.H., Koseki S., Matsunaga N., Nguyen K.A., Su S., Windus T.L., Dupuis M., Montgomery J.A.
Journal of Computational Chemistry, 1993
15.
Effective Potentials in Molecular Quantum Chemistry
Krauss M., Stevens W.J.
Annual Review of Physical Chemistry, 1984
17.
10.1070/MC2000v010n01ABEH001205_bib11
Mamaev
Zh. Fiz. Khim., 1999
18.
10.1070/MC2000v010n01ABEH001205_bib12
Bell
The Tunnel Effect in Chemistry, 1980
19.
Vibrationally adiabatic models for reactive tunneling
Skodje R.T., Truhlar D.G., Garrett B.C.
Journal of Chemical Physics, 1982