High-resolution synchrotron infrared spectroscopy of acrolein: The vibrational levels between 850 and 1020 cm-1

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DOIResolve DOI: http://doi.org/10.1016/j.jms.2015.09.002
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TypeArticle
Journal titleJournal of Molecular Spectroscopy
ISSN0022-2852
Volume317
Article number10619
Pages1625; # of pages: 10
SubjectAldehydes; Herbicides; Infrared radiation; Infrared spectroscopy; Light sources; Synchrotron radiation; Synchrotrons; Acrolein; Coriolis; Excited vibrations; Fundamental bands; Out-of-plane vibrations; Perturbation; Synchrotron radiation facility; Vibrational levels; Vibration analysis
AbstractUsing spectra obtained at the Canadian Light Source synchrotron radiation facility, a previously unobserved out-of-plane vibration of trans-acrolein (propenal) is reliably assigned for the first time. Its origin is at 1002.01 cm-1, which is about 20 cm-1 higher than usually quoted in the past. This mode is thus labelled as v<inf>14</inf>, leaving the label v<inf>15</inf> for the known vibration at 992.66 cm-1. Weak combination bands 171182 ← 182, 171131 ← 131, 121182 ← 181, and 171182 ← 181 are studied for the first time, and assignments in the known v<inf>11</inf>, v<inf>16</inf>, and v<inf>15</inf> fundamental bands are also extended. The seven excited vibrations involved in these bands are analyzed, together with five more unobserved vibrations in the same region (850-1020 cm-1), in a large 12-state simultaneous fit which accounts for most of the many observed perturbations in the spectra.
Publication date
PublisherElsevier
LanguageEnglish
AffiliationNational Research Council Canada; Security and Disruptive Technologies
Peer reviewedYes
NPARC number21276939
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Record identifier597e6bb7-94f7-4efd-909b-168e67d70fae
Record created2015-11-10
Record modified2016-05-09
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