Knowledge Bank

Infrared argon and xenon matrix spectra of $CH2OH-CH2OH$, $CH2OD-CH2OD$, $CD2OH-CD2OH$, and $CH2O18H-CH2O18H$ 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.