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

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

doi:10.1063/1.1308553

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

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

Research output: Contribution to journal › Article › peer-review

37 Scopus citations

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 language	English (US)
Pages (from-to)	6160-6168
Number of pages	9
Journal	Journal of Chemical Physics
Volume	113
Issue number	15
DOIs	https://doi.org/10.1063/1.1308553
State	Published - Oct 15 2000
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1308553

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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).",

author = "Lee, {Jin Yong} and Jongseob Kim and Lee, {Han Myoung} and P. Tarakeshwar and Kim, {Kwang S.}",

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AU - Kim, Jongseob

AU - Lee, Han Myoung

AU - Tarakeshwar, P.

AU - Kim, Kwang S.

PY - 2000/10/15

Y1 - 2000/10/15

N2 - 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).

AB - 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).

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

Abstract

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