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Phys Chem Chem Phys. 2006 Aug 28;8(32):3707-14. Epub 2006 Jul 4.

Far-infrared spectroscopy of small polycyclic aromatic hydrocarbons.

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  • 1Laboratoire de Photophysique Moléculaire (membre de la Fédération Lumière Matière), CNRS, Université de Paris-Sud, Bât. 210, F-91405, Orsay Cedex, France.

Abstract

Both experimental and theoretical spectroscopic studies on small gas phase polycyclic aromatic hydrocarbons in the far-infrared spectral region are reported. The experimental set-up based on thermal emission and Fourier transform far infrared analysis led to the detection of relatively broad vibrational bands, unresolved in rotation, representative of each molecule. Detailed theoretical investigations were performed, including both ab initio calculations and spectral simulations. For the majority of the samples, this study provides the first detection of the vibrational modes associated with the skeleton motions.

PMID:
16896433
[PubMed]
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