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

Kosmas Prassides, Paul N. Schatz

Research output: Contribution to journalArticle

30 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 languageEnglish
Pages (from-to)83-89
Number of pages7
JournalJournal of physical chemistry
Volume93
Issue number1
DOIs
Publication statusPublished - 1989 Jan 1

ASJC Scopus subject areas

  • Engineering(all)
  • Physical and Theoretical Chemistry

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