Vibronic intensities in the electronic spectra of transition-metal complex ions: Part VII. The Г8(2T2g) -> Г8(4A2g) electronic transition of the ReBr2-6 ion in Cs2ZrBr6
The vibronic intensities of the vibronic origins due to the three odd-parity vibrational modes of the Г8(2T2g) Г8(4A2g) electronic transition of the ReBr2-6 ion are calculated using both crystal-field and ligand-polarization vibronic models. The crystal-field calculations is carried out using the closure approximation, and both models employ the double-group formalism. The vibronic intensity distribution is different for the two models, but by using reasonable values of the radial integrals and atomic charges, satisfactory agreement with experiment is achieved. © 1990 Taylor & Francis Group, LLC.
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Quote ItemMolecular Physics, Volumen 71, Issue 5, 2018, Pages 1063-1073