Accession Number:

ADA052755

Title:

Quadratic Jahn-Teller Coupling in Octahedral Systems.

Descriptive Note:

Technical rept.,

Corporate Author:

COLORADO STATE UNIV FORT COLLINS DEPT OF CHEMISTRY

Personal Author(s):

Report Date:

1978-03-01

Pagination or Media Count:

18.0

Abstract:

In this paper Jahn-Teller vibronic coupling calculations are presented for the general case gamma8g x eg in Oh symmetry. The Hamiltonian employed is complete up to terms quadratic in vibrational coordinates qtheta and qepsilon which span the v2eg mode of MF6 systems. Calculational details are discussed. It is concluded that, in agreement with previously reported spectroscopic data for ReF6 and IrF6, quadratic terms in the vibronic interaction are essential both qualitatively and quantitatively to the complete understanding of intrastate vibronic coupling in transition metal hexafluorides. Author

Subject Categories:

  • Quantum Theory and Relativity

Distribution Statement:

APPROVED FOR PUBLIC RELEASE