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

dc.contributor.authorHeger, M.
dc.contributor.authorAndersen, J.
dc.contributor.authorSuhm, M. A.
dc.contributor.authorWugt Larsen, R.
dc.date.accessioned2016-02-16T09:33:16Z
dc.date.available2016-02-16T09:33:16Z
dc.date.issued2016-02-07
dc.identifier.citationHeger, M; Andersen, J; Suhm, M A; Wugt Larsen, R (2016): The donor OH stretching-libration dynamics of hydrogen-bonded methanol dimers in cryogenic matrices. - Physical chemistry chemical physics : PCCP, Vol. 18, Nr. 5, p. 3739-45
dc.relation.ISSN1463-9084
dc.identifier.urihttp://resolver.sub.uni-goettingen.de/purl?gs-1/12852
dc.description.abstractFTIR 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.
dc.languageeng
dc.language.isoeng
dc.rightsopenAccess
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/
dc.subjectmethanol dimers; cryogenic matrices, OH
dc.titleThe donor OH stretching-libration dynamics of hydrogen-bonded methanol dimers in cryogenic matrices.
dc.typejournalArticle
dc.identifier.doi10.1039/c5cp07387a
dc.type.versionpublishedVersion
dc.bibliographicCitation.volume18
dc.bibliographicCitation.issue5
dc.bibliographicCitation.firstPage3739
dc.bibliographicCitation.lastPage3745
dc.type.subtypejournalArticle
dc.identifier.pmid26763101
dc.description.statuspeerReviewed
dc.bibliographicCitation.journalPhysical chemistry chemical physics : PCCP


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