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Y. Kolyagin, V. Ordomsky, Y. Khimyak, A. Rebrov, F. Fajula, I. Ivanova (2006)
Initial stages of propane activation over Zn/MFI catalyst studied by in situ NMR and IR spectroscopic techniquesJournal of Catalysis, 238
C. Hall, R. Perutz (1996)
Transition Metal Alkane ComplexesChemical Reviews, 96
M. Sasaki, Chunshan Song, M. Plummer (2000)
Transition metal tetrachloroaluminate catalysts for probe reactions simulating petroleum resids upgradingFuel, 79
V. Kazansky, A. Serykh, E. Pidko (2004)
DRIFT study of molecular and dissociative adsorption of light paraffins by HZSM-5 zeolite modified with zinc ions: methane adsorptionJournal of Catalysis, 225
K. Eller, H. Schwarz (1991)
Organometallic chemistry in the gas phaseChemical Reviews, 91
C. Hill (1989)
Activation and functionalization of alkanes
V. Vidal, A. Théolier, J. Thivolle-cazat, J. Basset (1997)
Metathesis of Alkanes Catalyzed by Silica-Supported Transition Metal Hydrides, 276
C. Haynes, E. Fisher, P. Armentrout (1996)
Probing the [CoC2H6]+ potential energy surface: A detailed guided-ion beam studyJournal of the American Chemical Society, 118
F. Hirshfeld (1977)
Bonded-atom fragments for describing molecular charge densitiesTheoretica chimica acta, 44
D. Laikov (1997)
Fast evaluation of density functional exchange-correlation terms using the expansion of the electron density in auxiliary basis setsChemical Physics Letters, 281
J. Perdew, K. Burke, M. Ernzerhof (1996)
Generalized Gradient Approximation Made Simple.Physical review letters, 77 18
J. Perry, G. Ohanessian, W. Goddard (1993)
Molecular complexes of small alkanes with cobalt(1The Journal of Physical Chemistry, 97
Max and, W. Koch (1996)
A Theoretical View on Co+-Mediated C−C and C−H Bond Activations in EthaneJournal of the American Chemical Society, 118
Y. Ono, T. Tanabe, N. Kitajima (1979)
The synergism of AlCl3-CuCl2 mixtures in the low-temperature conversion of pentaneJournal of Catalysis, 56
C. Haynes, E. Fisher, P. Armentrout (1996)
Probing the [CoC3H8]+ potential energy surface: A detailed guided-ion beam studyThe Journal of Physical Chemistry, 100
P. Armentrout (2007)
Activation of C2H6 and C3H8 by Gas-Phase Mo+: Potential Energy Surfaces and Reaction MechanismsOrganometallics, 26
A. Becke (1993)
Density-functional thermochemistry. III. The role of exact exchangeJournal of Chemical Physics, 98
P. Armentrout, J. Beauchamp (1981)
Ion beam studies of the reactions of atomic cobalt ions with alkanes: determination of metal-hydrogen and metal-carbon bond energies and an examination of the mechanism by which transition metals cleave carbon-carbon bondsJournal of the American Chemical Society, 103
Density functional PBE/TZ2p quantum chemical calculations of activated complexes and pathways of model catalytic transformations of propane under the action of aluminum chloride-cobalt chloride ionic bimetallic complexes were carried out. The formation of an intermediate with a broken C-C bond can occur on the cationic cluster CoAlCl4 + characterized by the strongest coordination of propane molecule. The activation barrier to the reaction is ΔG = 25.0 kcal mol−1. Activation of alkane C-H bonds follows the alkyl pathway involving the formation of bimetallic alkyl complexes. The interaction of activated hydrocarbon fragments bound to transition metal atoms in cobalt-chloroaluminate clusters can result in alkane metathesis products (in this case, ethane and a polymetallic cluster containing an extendedchain alkyl radical).
Russian Chemical Bulletin – Springer Journals
Published: Mar 13, 2011
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