Evaluation of the crystal field-closure-ligand polarization interference term for the vibronic intensities of centrosymmetric coordination compounds
- 20 October 1985
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 56 (3) , 683-686
- https://doi.org/10.1080/00268978500102611
Abstract
A reexamination of the relative phases of the crystal field-closure and ligand polarization contributions to the intensities of individual vibronic origins shows that the interference term is appreciable and positive for the v 3, v 4 and v 6 vibronic origins of the 4 A 2g ↔ 4 T 2g transition of the MnF2- 6 ion. We had previously reported that this term was identically zero for v 6 but this error arose from the use of an inconsistent choice of phases in the v 6 symmetry coordinate. A corrected table of computed dipole strengths and relative vibronic intensities is given which is in excellent agreement with experiment.Keywords
This publication has 4 references indexed in Scilit:
- Vibronic intensities in the electronic spectra of transition metal ionsMolecular Physics, 1984
- Vibronic intensities in the electronic spectra of transition metal ionsMolecular Physics, 1983
- On the calculation of electric dipole strengths of 4f→4f transitions in lanthanide complexesChemical Physics Letters, 1982
- On the use of the Born-Oppenheimer approximation in molecular problemsAnnals of Physics, 1957