The Electronic Structure and the He(I) Photoelectron Spectrum of Tricarbonylcyclooctatetraene-iron [1]
Open Access
- 1 August 1980
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung B
- Vol. 35 (8) , 1028-1030
- https://doi.org/10.1515/znb-1980-0819
Abstract
The highest occupied molecular orbitals of tricarbonylcyclooctatetraene-iron (1) have been derived from those of tricarbonyl-butadiene-iron and butadiene. Based on this MO diagram and an INDO-type calculation the He(I) photoelectron (PE) spectrum of 1 could be interpreted. Using the ⊿ SCF and the transition operator method (TOM) the first five bands of the PE spectrum of 1 could be assigned.Keywords
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