Structures, vibrational frequencies, and infrared spectra of the hexahydrated benzene clusters

Jin Yong Lee, Jongseob Kim, Han Myoung Lee, Tarakeshwar Pilarisetty, Kwang S. Kim

Research output: Contribution to journalArticle

34 Citations (Scopus)

Abstract

The structures, interaction energies, vibrational frequencies, and infrared (IR) intensities of both the water hexamer clusters and their benzene complexes were studied. The obtained OH-spectra were compared with the experimental data. The comparison revealed that the structure of the water hexamer interacting with the benzene molecule is likely to be the Cage da(daa).

Original languageEnglish (US)
Pages (from-to)6160-6168
Number of pages9
JournalJournal of Chemical Physics
Volume113
Issue number15
DOIs
StatePublished - Oct 15 2000
Externally publishedYes

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Vibrational spectra
Benzene
infrared spectra
benzene
Infrared radiation
Water
water
Molecules
molecules
interactions
energy
hydroxide ion

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Structures, vibrational frequencies, and infrared spectra of the hexahydrated benzene clusters. / Lee, Jin Yong; Kim, Jongseob; Lee, Han Myoung; Pilarisetty, Tarakeshwar; Kim, Kwang S.

In: Journal of Chemical Physics, Vol. 113, No. 15, 15.10.2000, p. 6160-6168.

Research output: Contribution to journalArticle

Lee, Jin Yong ; Kim, Jongseob ; Lee, Han Myoung ; Pilarisetty, Tarakeshwar ; Kim, Kwang S. / Structures, vibrational frequencies, and infrared spectra of the hexahydrated benzene clusters. In: Journal of Chemical Physics. 2000 ; Vol. 113, No. 15. pp. 6160-6168.
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