Vibronic coupling model for mixed-valence compounds. Extension to the multimode case

Kosmas Prassides; Paul N. Schatz

doi:10.1021/j100338a021

Vibronic coupling model for mixed-valence compounds. Extension to the multimode case

Kosmas Prassides, Paul N. Schatz

Advanced Institute for Materials Research (AIMR)

Research output: Contribution to journal › Article › peer-review

32 Citations (Scopus)

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	https://doi.org/10.1021/j100338a021
Publication status	Published - 1989 Jan 1

ASJC Scopus subject areas

Engineering(all)
Physical and Theoretical Chemistry

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10.1021/j100338a021

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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.",

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AB - 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.

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Vibronic coupling model for mixed-valence compounds. Extension to the multimode case

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