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Journal Articles Journal of Physical Chemistry A Year : 2020

Synchrotron-Based High Resolution Far-Infrared Spectroscopy of trans-Butadiene


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.


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hal-02531343 , version 1 (01-05-2020)



Marie-Aline Martin-Drumel, Jessica P Porterfield, Manuel Goubet, Pierre Asselin, Robert Georges, et al.. Synchrotron-Based High Resolution Far-Infrared Spectroscopy of trans-Butadiene. Journal of Physical Chemistry A, 2020, 124 (12), pp.2427-2435. ⟨10.1021/acs.jpca.0c00623⟩. ⟨hal-02531343⟩
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