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

M. Heger, J. Andersen, M. A. Suhm, René Wugt Larsen

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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.
Original languageEnglish
JournalPhysical Chemistry Chemical Physics
Volume18
Issue number5
Pages (from-to)3739-3745
Number of pages7
ISSN1463-9076
DOIs
Publication statusPublished - 2016

Bibliographical note

This article is published Open Access as part of the RSC's Gold for Gold initiative, licensed under a Creative Commons Attribution 3.0 Unported Licence.

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