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

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

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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

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ASJC Scopus subject areas

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

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