Spectroscopy of benzene dimers in the algebraic model

Journal Article · Sun Jan 15 04:00:00 EST 1995 · Journal of Chemical Physics; (United States)

DOI:https://doi.org/10.1063/1.469172· OSTI ID:6693218

Iachello, F ^[1]; Oss, S ^[2]

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1. Center for Theoretical Physics, Sloane Laboratory, Yale University, New Haven, Connecticut 06520-8120 (United States)
2. Dipartimento di Fisica, Universita di Trento, 38050 Povo (Tunisia) (Italy)

We study the spectroscopy of benzene dimers within the algebraic model. We report results of calculations of the infrared and Raman spectrum in the region of the CH stretching fundamentals [nu][sub 7], [nu][sub 13], [nu][sub 20] and [nu][sub 2]. On the basis of these calculations, we suggest that the precise geometric form of the dimer can be inferred from detailed vibrational spectroscopy.

• DOE Contract Number: FG02-91ER40608
• OSTI ID: 6693218
• Journal Information: Journal of Chemical Physics; (United States), Journal Name: Journal of Chemical Physics; (United States) Vol. 102:3; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

664100* -- Theory of Electronic Structure of Atoms & Molecules-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
ALGEBRA
AROMATICS
BENZENE
CARBONYLS
DIMERS
ELONGATION
ENERGY LEVELS
EXCITED STATES
GEOMETRY
HYDROCARBONS
INFRARED SPECTRA
MATHEMATICAL MODELS
MATHEMATICS
ORGANIC COMPOUNDS
RAMAN SPECTRA
SPECTRA
VIBRATIONAL STATES