Abstract
The two-site two-electron vibronic coupling model for mixed-valence systems is formulated for an arbitrary number of modes. In both the delocalized and localized limits simple analytical expressions are presented for the positions and intensities of the charge-transfer-induced infrared and intervalence transitions. The two-site one-electron model is also easily extended to the multimode case. The model is used to fit some preliminary infrared data on the (TCNQ-)2 and (TCNQ)2- dimeric moieties isolated in inert gas matrices at low temperatures.
| Original language | English |
|---|---|
| Pages (from-to) | 83-89 |
| Number of pages | 7 |
| Journal | Journal of physical chemistry |
| Volume | 93 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - 1989 Jan 1 |
ASJC Scopus subject areas
- Engineering(all)
- Physical and Theoretical Chemistry
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Prassides, K., & Schatz, P. N. (1989). Vibronic coupling model for mixed-valence compounds. Extension to the multimode case. Journal of physical chemistry, 93(1), 83-89. https://doi.org/10.1021/j100338a021