✦ LIBER ✦

Hybrid molecular orbitals for interacting systems. elucidation of catalytic activities

✍ Scribed by Hiroshi Fujimoto; Nobuaki Koga

Publisher: Elsevier Science
Year: 1982
Tongue: French
Weight: 207 KB
Volume: 23
Category: Article
ISSN: 0040-4039
DOI: 10.1016/s0040-4039(00)85599-9

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✦ Synopsis

A method of orbital transformations is applied to show the role of transition metal catalysis in nucleophilic additions to carbon-carbon double bonds. Catalysis is a matter of vital concern to chemists. Hoffmann and his collaborators published a number of papers disclosing important roles of transition metals in molecules and in chemical reactions.' Their strategy is based on the perturbation theory, being often called orbital interactions and orbital mixings. We believe that catalytic activity is one of local phenomena and, therefore, it may also be studied conveniently by the use of some sort of localized MOs. Recently, we have introduced a method of hybrid MOs which has been designed to express the local characteristics of interactions between two systems.

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