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Magnetic susceptibility of 1,1′,2,2′-tetramethylcobaltocene and 1,1′-diethylcobaltocene: Evidence for the dynamic Jahn-Teller effect |
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| Authors: | E. K nig,V. P. Desai |
| Affiliation: | Institut für Physikalische und Theoretische Chemie, Universität Erlangen-Nürnberg, D-8520 Erlangen, West Germany Heisse Chemie, Kernforschungszentrum Karlsruhe, D-7500 Karlsruhe, West Germany Anorganisch-chemisches Institut, Technische Universität München, D-8046 Garching, West Germany |
| Abstract: | The magnetic susceptibility of 1,1′,2,2′-tetramethylcobaltocene, Co[C5H3(CH3)2]2, and 1,1′-diethylcobaltocene, Co(C5H4C2H5)2, has been studied between 0.99 and 296 K. The data are well reproduced by a calculation of the dynamic Jahn-Teller effect for the 2E1g(a1g2e2g4e1g) ground state of D5d symmetry. A suitable set of parameter values is given by ζ = 100 cm−1, δ = 150 cm−1, kJT = 0.40, κ = 0.70. The magnetism of cobaltocene, Co(C5H5)2, may be described by parameter values of comparable magnitude. The results imply a significantly larger reduction of the spin-orbit coupling parameter ζ due to covalency than of the orbital reduction factor κ. |
| Keywords: | To whom correspondence should be addressed. |
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