Quantum mechanical models for organometallic reactivityстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:A general scheme for theoretical treatment of organometallic reactivity is proposed. It is based upon the notion that the reactivity of a molecule is strongly affected by its coordination to metal-containing fragments. Based upon this idea we describe the large-scale organometallic reactions as reactions of the ligands in the coordination spheres of transition metal complexes. We propose here a quantum mechanical framework for analysis of effects of coordination on the reactivity and give several examples of qualitative energy profiles for reactions in the ligand spheres of transition metal complexes. (C) 1996 John Wiley & Sons, Inc.