INFRARED MATRIX SPECTRA OF GLYCOL AND ISOTOPIC SPECIES
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Date
1974
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Ohio State University
Abstract
Infrared argon and xenon matrix spectra of $CH_{2}OH-CH_{2}OH$, $CH_{2}OD-CH_{2}OD$, $CD_{2}OH-CD_{2}OH$, and $CH_{2}O_{18}H-CH_{2}O^{18} H$ are presented and discussed on the basis of two non-equivalent internally H-bonded (gauche C - C) conformations predicted by ab initio calculations. Both conformations feature a single internal hydrogen bond involving the lone electron pairs of the acceptor O-atom. Several observed splittings of fundamentals are interpreted in terms of a calculated energy surface depending on the two OH- torsional angles for a C - C torsional angle fixed at 60 degrees.
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Author Institution: Laboratory for Physical, Chemistry Swiss Federal