Behavior of charge-transfer absorption upon passing through the neutral-ionic phase transition

Claus Schelde Jacobsen, J. B. Torrance

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Abstract

The charge-transfer band is determined from reflectance measurements on single crystals of TTF-chloranil from 300 to 45 K, passing through the neutral-ionic phase transition at 84 K. As the temperature is decreased from 300 K toward the transition, hnuCT decreases slowly from 0.66 to 0.55 eV, perhaps the lowest energy observed for a charge-transfer band. Below this transition, hnuCT increases slightly and a second band appears at higher energy. From the measured oscillator strength, the temperature dependence of the degree of charge transfer has been determined. It is found to increase from ~0.20 to ~0.30 as the temperature is lowered from 300 to 100 K. Below TC, the degree of charge transfer rises to a value near 0.70. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
Original languageEnglish
JournalJournal of Chemical Physics
Volume78
Issue number1
Pages (from-to)112-115
ISSN0021-9606
DOIs
Publication statusPublished - 1983

Bibliographical note

Copyright (1983) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

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