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Journal Articles The Journal of Chemical Physics Year : 2003

The infrared absorption spectrum of the gas phase neutral benzoic acid monomer and dimer

Abstract

The IR absorption spectrum of the jet-cooled benzoic acid monomer and dimer have been recorded throughout the 500-1900 cm(-1) range via ion dip spectroscopy. Both spectra show a wealth of vibrational modes and the monomer spectrum is remarkably different from that of the dimer. Density functional theory calculations show quantitative agreement with the experimental data. The C-O-H out-of-plane bending vibration in the dimer is poorly reproduced in the theoretical calculations and a more accurate description of the doubly hydrogen bonded structure is therefore still needed. (C) 2003 American Institute of Physics.

Dates and versions

hal-00676530 , version 1 (05-03-2012)

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Joost M. Bakker, Luke Macaleese, Gert von Helden, Gerard Meijer. The infrared absorption spectrum of the gas phase neutral benzoic acid monomer and dimer. The Journal of Chemical Physics, 2003, 119 (21), pp.11180. ⟨10.1063/1.1622657⟩. ⟨hal-00676530⟩
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