"Observation of Davydov splitting in PTS polydiacetylene crystal spectr" by Hans Muller and Craig J. Eckhardt

Department of Chemistry

 

Date of this Version

December 1977

Comments

Published by American Institute of Physics. J. Chem. Physics Volume 67, Issue 11, pp. 5386-5387 (1977). ©1977 American Institute of Physics. Permission to use. http://jcp.aip.org/.

Abstract

The electronic spectra of polydiacetylene crystals have often been typified by poly-2, 4-hexadiyne-1, 6-diol-bis-(p-toluene sulfonate) (PTS). The spectra of crystals of this polydiacetylene have been unique in that they have displayed a pronounced “doubling” of the 300 K spectral bands at temperature below 170 K. The reflection bands are also observed to undergo a continuous red shift with continued decrease of temperature. The reflection band observed at lowest energy at 300 K is resolved at 77 K into two clearly separated bands at 15,700 cm-1 (Ib) and 16,050 cm-1(IIb). A recent study by modulated piezoreflection spectroscopy on PTS crystals demonstrated that this “doubling” persists to 300 K. The phenomenon is best explained by recent x-ray crystallographic studies which show that at 170 K the unit cell of the PTS doubles along the c axis.

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