Journal article
The rearrangement pathway in [Cp2Mo2(CO)4(RCCCR2)]+ cations: An extended Hückel molecular orbital and Bürgi-Dunitz trajectory study
Abstract
The fluxional behavior of metal cluster cations of the type [Cp2Mo2(CO)4(RCCCR′R″)]+ has been widely studied by variable-temperature NMR techniques, and a mechanism involving migration of the carbocationic center between the organometallic vertices has been proposed. In this report, the suggested mechanism has been investigated by means of extended Hückel molecular orbital calculations (EHMO), and allows the evaluation of the lowest energy …
Authors
Girard L; Lock PE; Amouri HE; McGlinchey MJ
Journal
Journal of Organometallic Chemistry, Vol. 478, No. 1-2, pp. 189–196
Publisher
Elsevier
Publication Date
September 1994
DOI
10.1016/0022-328x(94)88171-5
ISSN
0022-328X