Title: The v(7), v(8), and v(11) bands of propynal, C(2)HCHO, in the 650 cm(-1) region
Authors: McKellar, A. R. W.
Watson, J. K. G.
Chu, Li-Kang
Lee, Yuan-Pern
Department of Applied Chemistry
Institute of Molecular science
Keywords: Propynal;Infrared;Coriolis;Fermi
Issue Date: 1-Dec-2008
Abstract: The infrared spectrum of propynal, C(2)HCHC, is studied at high resolution (0.003 cm(-1)) in the range 570640 cm(-1). The relatively intense v(11) (C equivalent to C-H out-of-plane bend, 693 cm(-1)) and v(7) (C equivalent to C-H in-plane bend, 651 cm(-1)) fundamental bands are linked by a strong a-type Coriolis interaction. The somewhat weaker v(8) (CCO in-plane bend, 614 cm(-1)) fundamental has a significant Fermi-type interaction with the "dark" background state 3v(9) (similar to 618 cm(-1)). About 1400 lines are assigned and analyzed in terms of a four-state fit in order to obtain accurate band origins, rotational and centrifugal distortion parameters, and Fermi and Coriolis interaction parameters. This represents the first systematic high-resolution infrared study of propynal. Crown Copyright (C) 2008 Published by Elsevier Inc. All rights reserved.
URI: http://dx.doi.org/10.1016/j.jms.2008.09.002
ISSN: 0022-2852
DOI: 10.1016/j.jms.2008.09.002
Volume: 252
Issue: 2
Begin Page: 230
End Page: 238
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