Theoretical analysis of catalytic activity of transition metal complexes in symmetry forbidden reactions

The mechanism of the catalytic activity of transition metal complexes is discussed in terms of an effective Hamiltonian of a reactant-catalyst system. The potential energy surface has been constructed for the reaction of catalytic isomerization of quadricyclane to nonbornadiene. The properties of th...

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Bibliographic Details
Published in:Chemical physics 1989-05, Vol.133 (1), p.77-87
Main Authors: Tchougreeff, A.L., Misurkin, I.A.
Format: Article
Language:English
Subjects:
Chemistry
Exact sciences and technology
General and physical chemistry
Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry
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Summary:The mechanism of the catalytic activity of transition metal complexes is discussed in terms of an effective Hamiltonian of a reactant-catalyst system. The potential energy surface has been constructed for the reaction of catalytic isomerization of quadricyclane to nonbornadiene. The properties of the catalyst are found to affect strongly the activation energy of the reaction.
ISSN:0301-0104
DOI:10.1016/0301-0104(89)80100-4