Optical properties of the prototype II-IV mixed-valence system Wolffram's red salt: a one mode treatment

Kosmas Prassides, Paul N. Schatz

Research output: Contribution to journalArticlepeer-review

16 Citations (Scopus)

Abstract

Focusing on a single unit cell, the coupled potential surfaces for the PtII-PtIV, PtIII-PtIII, PtIV-PtII configuration are described as a function of the Cl-PtIV-Cl symmetry stretching coordinate. The vibronic Schrödinger equation is solved to find the nuclear motion over the three coupled surfaces. The resulting eigenvectors and eigenvalues are used to calculate the following: (i) the location of the intervalence band; (ii) the principal features of the well-known strong resonance Raman progression; (iii) the principal features of the luminescence band observed at about half the intervalence band energy. Quite good agreement with experiment is found for a reasonable set of parameters.

Original languageEnglish
Pages (from-to)227-234
Number of pages8
JournalChemical Physics Letters
Volume178
Issue number2-3
DOIs
Publication statusPublished - 1991 Mar 22

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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