Electronic structure and dynamic Jahn-Teller effect of cobaltocene from EPR and optical studies

The Journal of Chemical Physics

Volumn 57, Issue 2, 1972, Pages 678-698

  Ammeter, J H ^a,b,c   Swalen, J D ^a  

^a IBM ALMADEN RESEARCH CENTER   (United States)

^b UNIVERSITY OF FLORIDA   (United States)

^c ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001350097     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1678300     Document Type: Article

References (67)

1. See for example
2. See also
3. The EPR data of the unstable species [formula omitted] and [formula omitted] by
4. For example
5. See for example
6. As an example, orbital [formula omitted]—and spin [formula omitted]—unrestricted Hartree-Fock calculations for [formula omitted] in two ionization states by P. Bagus gave the following results for the various [formula omitted] values (in atomic units): [formula omitted]
7. For a recent review of the static and dynamic Jahn-Teller effect in solids see for instance
8. Eq. (14) [formula omitted] is an electronic wavefunction, containing only electronic coordinates q as dynamical variables and depending on the nuclear coordinates Q as parameters; [formula omitted] is the nth nuclear (vibrational) wavefunction, containing only nuclear coordinates Q as dynamical variables, associated with [formula omitted]
9. see also
10. See for instance
11. For the benzene negative ion McConnell and McLachlan (Ref. 47) found theoretically that two [formula omitted] modes contributed to a comparable degree to the total Jahn-Teller effect, with [formula omitted] matrix elements of 0.62 and 0.67, respectively.