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The electronic structures of formallyd7transition metal sandwich complexes

Authors
Journal
Journal of Organometallic Chemistry
0022-328X
Publisher
Elsevier
Publication Date
Volume
152
Issue
3
Identifiers
DOI: 10.1016/s0022-328x(00)90660-0

Abstract

Abstract INDO SCF calculations have been carried out for the d 6 sandwich species FeCp 2, CrBz 2, CpCrCh, CpMnBz, [CoCp 2] +, [MnBz 2] +, [CpMnCh] +, and [CpFeBz] + (Cp = π-C 5H 5, Bz = π-C 6H 6, Ch = π-C 7H 7), and for systems obtained therefrom by the addition of one further electron. For all complexes except CoCp 2 the extra electron is predicted to lie in a dominantly ligand level and the species generated to be less stable than the corresponding d 6 systems.

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