Spectroscopic Effects of Neutral–Ionic Transition in TTF2IA
K. Tasaki
Department of Chemistry, Faculty of Science, Kumamoto University, Kurokami 2-39-1, Kumamoto 860, Japan
Search for more papers by this authorS. Matsuzaki
Department of Chemistry, Faculty of Science, Kumamoto University, Kurokami 2-39-1, Kumamoto 860, Japan
Search for more papers by this authorV. M. Yartsev
Centro de Física, Instituto Venezolano de Investigaciones Científicas, Apartado 21827, Caracas 1020-A, Venezuela
Search for more papers by this authorK. Tasaki
Department of Chemistry, Faculty of Science, Kumamoto University, Kurokami 2-39-1, Kumamoto 860, Japan
Search for more papers by this authorS. Matsuzaki
Department of Chemistry, Faculty of Science, Kumamoto University, Kurokami 2-39-1, Kumamoto 860, Japan
Search for more papers by this authorV. M. Yartsev
Centro de Física, Instituto Venezolano de Investigaciones Científicas, Apartado 21827, Caracas 1020-A, Venezuela
Search for more papers by this authorAbstract
Pressure-dependent infrared and visible spectra of bis-tetrathiafulvalene–odanil (TTF2IA) are analyzed within the donor–acceptor–donor trimer model, taking into account electron–molecular vibration coupling. Conditions for transition from quasi-neutral to quasi-ionic states are found. Asymmetric charge distribution between donors is shown to be possible for sufficiently large small-polaron binding energy of the donor molecule. The complex conductivity is calculated and a way to deduce parameters of the model from absorbance data is proposed.
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