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Jet-cooled and room temperature FTIR spectra of the dimer of formic acid in the gas phase

par Georges, Robert ;Freytes, M.;Hurtmans, Daniel ;Kleiner, Isabelle;Vander Auwera, Jean ;Herman, Michel
Référence Chemical physics, 305, 1-3, page (187-196)
Publication Publié, 2004

Article révisé par les pairs

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Résumé :

Room temperature absorption spectra of the gaseous (C2h) dimer of formic acid were recorded from the lowest energy fundamental, ν16, with origin at 69.2 cm-1, up to the CH overtone bands with Δv=4, with origin at 11,103 cm-1, using a high resolution Fourier transform interferometer. These spectra are complemented with liquid phase data in the NIR region. In addition, jet-cooled spectra were recorded over the range 1850-3750 cm-1. The origin of the many observed bands is listed, together with relative intensities for those recorded under jet-cooled conditions. Systematic problems encountered with vibrational assignments for bands other than fundamentals are highlighted and, as a rule, left unsolved except for the bands at 167.26 and 2586.34 cm-1 tentatively assigned to ν15+ν16-ν16 and ν5+ν22 or ν6+ν21, respectively. For the first, FIR band the assignment is supported by partly unravelling the hot band pattern around ν15 at 168.47 cm -1. The jet-cooled rotational contour of the second, MIR band was simulated, allowing the rotational temperature in the jet to be estimated to 35 K. © 2004 Elsevier B.V. All rights reserved.