Direct observation of weak hydrogen bonds in microsolvated phenol: Infrared of OH stretching vibrations of phenol-CO and -CO2 in S0 and D0

Asuka Fujii, Takayuki Ebata, Naohiko Mikami

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39 Citations (Scopus)

Abstract

Infrared spectroscopy was applied to phenol-CO and phenol-CO2 clusters in a molecular beam, and the OH stretching vibrations of these clusters were observed both in their neutral (S0) and in their cationic (D0) ground states. Their OH frequency in So shows a small but definite low-frequency shift, indicating that the phenol moiety acts as a proton donor in their hydrogen-bonded structures. The magnitude of the frequency shifts well correlates with proton affinities of the proton-accepting CO and CO2 molecules. The OH stretching vibrations in Do showed a substantial low-frequency shift, representing that the hydrogen-bond strength is remarkably enhanced upon ionization. Density functional theoretical calculations of the cluster structures were carried out to support discussion.

Original languageEnglish
Pages (from-to)10124-10129
Number of pages6
JournalJournal of Physical Chemistry A
Volume106
Issue number43
DOIs
Publication statusPublished - 2002 Oct 31

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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