VIBRONIC INTENSITIES IN THE CS2ZRBR6-UBR6 2- SYSTEM

Citation
R. Acevedo et al., VIBRONIC INTENSITIES IN THE CS2ZRBR6-UBR6 2- SYSTEM, Anales de quimica, 91(7-8), 1995, pp. 479-489
Citations number
29
Categorie Soggetti
Chemistry
Journal title
ISSN journal
11302283
Volume
91
Issue
7-8
Year of publication
1995
Pages
479 - 489
Database
ISI
SICI code
1130-2283(1995)91:7-8<479:VIITC2>2.0.ZU;2-M
Abstract
ln this paper, the symmetrized vibronic crystal field-ligand polarizat ion method is reviewed on a critical basis. A general formalism is put forward, and it is applied with reference to the \(3)H(4)A(1)>c <---- >\(H6T2)-H-3-T-b> electronic transition of the Cs2ZrBr6:UB62- system. The calculation of the vibronic intensities associated with the three false origins nu(3)(tau(1u)), nu(4)(tau(1u)) and nu(6)(tau(2u)) is car ried out, assuming that the coupling among the internal and the extern al vibrations is small enough to be neglected. Though, the simplicity of our model calculation a fair agreement with experiment is found.