Abstract
Abstract Cesium dihydrogen phosphate is a pseudo-one-dimensional ferroelectric with two different hydrogen bonds which can be distinguished by Raman spectroscopy. The shorter bond ( R o...o = 2.48 A) shows a typical ABC spectrum while the longer one ( R o...o = 2.54 A) gives rise to a strong band near 2700 cm −1 and to weaker narrow features at 2400, 2340 and 1680 cm −1 . These bands can be calculated assuming a time expansion of the autocorrelation function of the transition moment according to a recent theory. The fast decay of this function generates broad features while long-time contributions give narrow bands which are compared with the “zero-phonon” transition proposed by Fischer, Hofacker and Ratner. Adiabatic potential functions for the slow ν o...o mode in the fundamental and in the excited state of the OH stretching vibrations are computed in order to fit the observed spectra and the main terms of the electrical coupling between the slow and fast stretching coordinates are determined. Fermi and Evans resonances do not appear to be important band-shaping factors. Potential functions governing the O...O stretching motions are completely different for the two hydrogen bonds.
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