Zur paramagnetischen Elektronenresonanz metallorganischer Sandwich-Verbindungen, Teil II / The Magnetic Resonance Properties of Some Sandwich Compounds, part II
Open Access
- 1 October 1972
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung A
- Vol. 27 (10) , 1444-1455
- https://doi.org/10.1515/zna-1972-1011
Abstract
In part II the magnetic resonance properties of the lowest lying excited triplet state of ferrocene has been investigated theoretically. As in the case of the ground state of chromocene (part I) we studied the splitting of the orbitally degenerate triplet state by the combined action of spin-orbit coupling and low-symmetry perturbation. The results explain the fact that no ESR spectrum has been observed in the lowest lying triplet state of ferrocene until now. There is also given an estimation of the lifetime of this state. The g-values and parameters of hyperfinestructure of the orbitally degenerate doublet ground state of cobaltocene are calculated and compared with the experimental results. The wave functions used for the calculations were obtained by a self-consistent-charge extended Hückel method.Keywords
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