The donor OH stretching-libration dynamics of hydrogen-bonded methanol dimers in cryogenic matrices

The donor OH stretching-libration dynamics of hydrogen-bonded methanol dimers in cryogenic matrices
Heger, M.; Andersen, J. M.; Suhm, M. A.   & Larsen, R. W. (2016) 
Physical Chemistry Chemical Physics18(5) pp. 3739-3745.​

Authors
Heger, Matthias; Andersen, J. M.; Suhm, Martin A. ; Larsen, Rene Wugt
Issue Date
2016
Type
Journal Article
Publisher
Royal Soc Chemistry
Journal
Physical Chemistry Chemical Physics 
Organization
Institut für Physikalische Chemie 
ISSN
1463-9084; 1463-9076
Abstract
FTIR spectra of the methanol dimer trapped in neon matrices are presented. The fundamental, overtone and combination bands involving the donor OH libration and stretching motions were observed in order to extract relevant anharmonicity constants. We find a stretching-libration coupling constant of +43(5) cm(-1) and a diagonal librational anharmonicity constant of -71(5) cm(-1). The spectra are compared to a number of VPT2 calculations and a torsionally localized monomer model in order to enhance previous explanations of the observable OH stretching red-shift upon dimerization.
Publication of Göttingen University
Yes
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