Spectral signatures of four-coordinated sites in water clusters: Infrared spectroscopy of phenol-(H2O)n (∼20 ≤ n ≤ ∼50)

Toru Hamashima, Kenta Mizuse, Asuka Fujii

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39 Citations (Scopus)

Abstract

We report infrared spectra of phenol-(H2O)n (∼20 ≤ n ≤ ∼50) in the OH stretching vibrational region. Phenol-(H 2O)n forms essentially the same hydrogen bond (H-bond) network as that of the neat water cluster, (H2O)n+1. The phenyl group enables us to apply the scheme of infrared-ultraviolet double resonance spectroscopy combined with mass spectrometry, achieving the moderate size selectivity (0 ≤ Δn ≤ ∼6). The observed spectra show clear decrease of the free OH stretch band intensity relative to that of the H-bonded OH band with increasing cluster size n. This indicates increase of the relative weight of four-coordinated water sites, which have no free OH. Corresponding to the suppression of the free OH band, the absorption peak of the H-bonded OH stretch band rises at ∼3350 cm-1. This spectral change is interpreted in terms of a signature of four-coordinated water sites in the clusters.

Original languageEnglish
Pages (from-to)620-625
Number of pages6
JournalJournal of Physical Chemistry A
Volume115
Issue number5
DOIs
Publication statusPublished - 2011 Feb 10

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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