𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Vibronic coupling in electronic transitions with significant Duschinsky effect

✍ Scribed by Andrea Peluso; Fabrizio Santoro; Giuseppe Del Re

Publisher
John Wiley and Sons
Year
1997
Tongue
English
Weight
231 KB
Volume
63
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

✦ Synopsis

Conceptual and mathematical difficulties arise in the study of transitions between vibronic states belonging to crossing Born᎐Oppenheimer hypersurfaces with significantly different positions and shapes of the minimum-energy nuclear configurations Ž . Duschinsky effect . This article presents an analytic procedure for the evaluation of the pertinent coupling integrals, adopting a normal coordinate reference system for the internal nuclear motion and harmonic approximation. The Duschinsky effect is properly considered. The procedure was applied to the dynamics of electron transfer in neutral mixed valence monoradicals, using the diabatic representation.

πŸ“œ SIMILAR VOLUMES

Vibronic coupling and the duschinsky eff
Vibronic coupling and the duschinsky effect in benzene
✍ F. Metz; M.J. Robey; E.W. Schlag; F. DΓΆrr πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 English βš– 430 KB

Explicit consideration of mode mixing (Duschinsky effect) is necessary to interpret the vibronic intensities in the oneand two-photon spectra of the electronically forbidden 'Bzu e 'Al8 transition in benzene. Good agreement with experiment is obtained by using a set of excited state normal coordinat

The Strong Duschinsky Effect and the Int
The Strong Duschinsky Effect and the Intensity of Transitions in Non-Totally Symmetric Vibrations in the Electronic Spectra of Polyatomic Molecules
✍ W.L. Smith πŸ“‚ Article πŸ“… 1998 πŸ› Elsevier Science 🌐 English βš– 173 KB

The effect of strong Duschinsky type mixing of two normal coordinates Q1 and Q2 on the intensity of transitions in non-totally symmetric vibrations in electronic spectra is examined. Using a Fermi resonance type theory, expressions are derived for the intensity of transitions such as 1(1)02(0)1 and