Direct Infrared Absorption Spectroscopy of Benzene Dimer

The direct infrared (IR) absorption spectrum of benzene dimer formed in a free-jet expansion was recorded in the 3.3 μm region for the first time. This has led to the observation of the C–H stretching fundamental mode ν13 (B1u), which is both IR and Raman forbidden in the monomer. Moreover, the IR f...

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Bibliographic Details
Published in:Journal of physical chemistry (1952) 2011-10, Vol.115 (41), p.11263-11268
Main Authors: Chandrasekaran, Vijayanand, Biennier, Ludovic, Arunan, E, Talbi, Dahbia, Georges, Robert
Format: Article
Language:English
Subjects:
Astrophysics
Banded structure
Benzene
Benzene - chemistry
Chemical Sciences
Dimerization
Dimers
Infrared
Infrared absorption
Mathematical analysis
Monomers
or physical chemistry
Physics
Quantum Theory
Sciences of the Universe
Solar and Stellar Astrophysics
Spectrophotometry, Infrared
Spectroscopy
Theoretical and
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Summary:The direct infrared (IR) absorption spectrum of benzene dimer formed in a free-jet expansion was recorded in the 3.3 μm region for the first time. This has led to the observation of the C–H stretching fundamental mode ν13 (B1u), which is both IR and Raman forbidden in the monomer. Moreover, the IR forbidden and Raman allowed ν7 (E2g) mode has been observed as well. These two modes were found to be red-shifted along with the IR allowed ν20 (E1u) mode, as previously reported by Erlekam et al. [Erlekam; Frankowski; Meijer; Gert von Helden J. Chem. Phys. 2006, 124, 171101], using ion-dip spectroscopy, contrary to the blue-shift predicted earlier by theoretical studies. The observation of the ν13 band indicates that the symmetry is reduced in the dimer, confirming the T-shaped structure observed by Erlekam et al. Our experimental results have not provided any direct evidence for the presence of the parallel displaced geometry, the main objective of the present work, as predicted by theoretical calculations.
ISSN:1089-5639
0022-3654
1520-5215
1541-5740
DOI:10.1021/jp204628g