HYDROGEN BOND VIBRATIONS IN CRYSTALS$^{\ast}$

$^{\ast}$ This work was supported by a grant from The Robert A. Welch Foundation, Houston, Texas.Author Institution: Department of Chemistry, Texas A. \& M. UniversityThe vibrational frequencies of the $O-H . . . . O$ bond in a number of selected crystals, where the positions of the hydrogen atoms are precisely known, have been calculated theoretically by making use of suitable potential functions. Experimental results on the Raman and far infrared spectra of these crystals will be presented and discussed. The far infrared spectrum of $\alpha$-Iodic acid recorded with a Perkin-Elmer Model 301 Spectrophotometer exhibits maxima at $253, 246, 234, 227$ and $220 cm^{-1}$ which are assigned as essentially due to the hydrogen bond vibrations. For $H_{3}BO_{3}$ a broad band was observed centered near $215 cm^{-1}$. The Raman and far infrared data of many of these crystals would be correlated and used to interpret and assign the external and hydrogen bond vibrations