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

Pohang University of Science and Technology

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
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 - 15 Oct 2000
Externally published	Yes

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

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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T1 - Structures, vibrational frequencies, and infrared spectra of the hexahydrated benzene clusters

AU - Lee, Jin Yong

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).

UR - https://www.scopus.com/pages/publications/0034297619

U2 - 10.1063/1.1308553

DO - 10.1063/1.1308553

M3 - Article

AN - SCOPUS:0034297619

SN - 0021-9606

VL - 113

SP - 6160

EP - 6168

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 15

ER -

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

Abstract

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