TY - JOUR
T1 - Synchrotron-Based High Resolution Far-Infrared Spectroscopy of trans-Butadiene
AU - Martin-Drumel, Marie Aline
AU - Porterfield, Jessica P.
AU - Goubet, Manuel
AU - Asselin, Pierre
AU - Georges, Robert
AU - Soulard, Pascale
AU - Nava, Matthew
AU - Changala, P. Bryan
AU - Billinghurst, Brant
AU - Pirali, Olivier
AU - McCarthy, Michael C.
AU - Baraban, Joshua H.
N1 - Publisher Copyright:
© 2020 American Chemical Society.
PY - 2020/3/26
Y1 - 2020/3/26
N2 - The 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.
AB - The 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.
UR - https://www.scopus.com/pages/publications/85082542624
U2 - 10.1021/acs.jpca.0c00623
DO - 10.1021/acs.jpca.0c00623
M3 - Article
C2 - 32118434
AN - SCOPUS:85082542624
SN - 1089-5639
VL - 124
SP - 2427
EP - 2435
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
IS - 12
ER -