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Synchrotron-Based High Resolution Far-Infrared Spectroscopy of trans-Butadiene
journal contribution
posted on 2020-03-11, 17:44 authored by Marie-Aline Martin-Drumel, Jessica P. Porterfield, Manuel Goubet, Pierre Asselin, Robert Georges, Pascale Soulard, Matthew Nava, P. Bryan Changala, Brant Billinghurst, Olivier Pirali, Michael C. McCarthy, Joshua H. BarabanThe
high resolution far-infrared spectrum of trans-butadiene
has been reinvestigated by Fourier-transform spectroscopy
at two synchrotron radiation facilities, SOLEIL and the Canadian Light
Source, at temperatures ranging from 50 to 340 K. Beyond the well-studied
bands, two new fundamental bands lying below 1100 cm–1, ν10 and ν24, have been assigned
using a combination of cross-correlation (ASAP software) and Loomis-Wood
type (LWWa software) diagrams. While the ν24 analysis
was rather straightforward, ν10 exhibits obvious
signs of a strong perturbation, presumably owing to interaction with
the dark ν9 + ν12 state. Effective
rotational constants have been derived for both the v10 = 1 and v24 = 1 states.
Since only one weak, infrared active fundamental band (ν23) of trans-butadiene remains to be observed
at high resolution in the far-infrared, searches for the elusive gauche conformer can now be undertaken with considerably
greater confidence in the dense ro-vibrational spectrum of the trans form.
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trans formLoomis-Wood typebutadienero-vibrational spectrumν 24ν 12 stateASAP softwareCanadian Light SourceLWWa softwarewell-studied bandsν 10 exhibitsν 24 analysis340 KSynchrotron-Based High Resolution Far-Infrared Spectroscopyν 9Fourier-transform spectroscopyresolution far-infrared spectrumSOLEILv 10ν 10v 241 statessynchrotron radiation facilities
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