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Direct Infrared Absorption Spectroscopy of Benzene Dimer

Chandrasekaran, Vijayanand and Biennier, Ludovic and Arunan, E and Talbi, Dahbia and Georges, Robert (2011) Direct Infrared Absorption Spectroscopy of Benzene Dimer. In: Journal of Physical Chemistry A, The, 115 (41). pp. 11263-11268.

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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp204628g


The direct infrared (IR) absorption spectrum of benzene dimer formed in a free-jet expansion was recorded in the 3.3 mu m region for the first time. This has led to the observation of the C H stretching fundamental mode nu(13) (B(1u)), which is both IR and Raman forbidden in the monomer. Moreover, the IR forbidden and Raman allowed nu(7) (E(2g)) mode has been observed as well. These two modes were found to be red-shifted along with the IR allowed nu(20) (E(1u)) 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 nu(13) 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.

Item Type: Journal Article
Publication: Journal of Physical Chemistry A, The
Publisher: American Chemical Society
Additional Information: Copyright of this article belongs to American Chemical Society.
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 04 Nov 2011 09:43
Last Modified: 04 Nov 2011 09:43
URI: http://eprints.iisc.ac.in/id/eprint/41820

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