Vibrational spectroscopy of the Cl-(H2O)n anionic clusters, n = 1-5

Jong-Ho Choi, Keith T. Kuwata, Yi Bin Cao, Mitchio Okumura

Research output: Contribution to journalArticle

208 Citations (Scopus)

Abstract

The hydrogen-bonded and free OH stretch modes of Cl-(H2O)n (n = 1-5) have been observed by vibrational predissociation spectroscopy in the 2.6-3.2 μm region. Besides demonstrating that all clusters form strong ionic hydrogen bonds, the spectra provide clear evidence of water-water hydrogen-bonding networks in n = 4 and n = 5, with the broad spectrum of n = 5 resembling that of large neutral water clusters. No water-water hydrogen bonding is seen in n = 2 and n = 3, but these clusters appear to be solvated asymmetrically. While the data suggest that Cl- ion is solvated on the surface of water clusters, there are discrepancies between the observed spectra and ab initio predictions. This disagreement may stem from either zero-point motion or high cluster temperature, which tend to disrupt hydrogen bonding among the waters.

Original languageEnglish
Pages (from-to)503-507
Number of pages5
JournalJournal of Physical Chemistry A
Volume102
Issue number3
DOIs
Publication statusPublished - 1998 Jan 1
Externally publishedYes

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Vibrational spectroscopy
Spectrum Analysis
Water
Hydrogen bonds
water
spectroscopy
Hydrogen Bonding
hydrogen
Hydrogen
stems
Ions
hydrogen bonds
Temperature
predictions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Vibrational spectroscopy of the Cl-(H2O)n anionic clusters, n = 1-5. / Choi, Jong-Ho; Kuwata, Keith T.; Cao, Yi Bin; Okumura, Mitchio.

In: Journal of Physical Chemistry A, Vol. 102, No. 3, 01.01.1998, p. 503-507.

Research output: Contribution to journalArticle

Choi, Jong-Ho ; Kuwata, Keith T. ; Cao, Yi Bin ; Okumura, Mitchio. / Vibrational spectroscopy of the Cl-(H2O)n anionic clusters, n = 1-5. In: Journal of Physical Chemistry A. 1998 ; Vol. 102, No. 3. pp. 503-507.
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