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

MarieAline MartinDrumel | Zendy; Jessica P. Porterfield | Zendy; Manuel Goubet | Zendy; Pierre Asselin | Zendy; Robert Georges | Zendy; P. Soulard | Zendy; Matthew Nava | Zendy; P. Bryan Changala | Zendy; Brant Billinghurst | Zendy; Olivier Pirali | Zendy; Michael McCarthy | Zendy; Joshua H. Baraban | Zendy

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

Author(s) -

MarieAline MartinDrumel,

Jessica P. Porterfield,

Manuel Goubet,

Pierre Asselin,

Robert Georges,

P. Soulard,

Matthew Nava,

P. Bryan Changala,

Brant Billinghurst,

Olivier Pirali,

Michael McCarthy,

Joshua H. Baraban

Publication year - 2020

Publication title -

the journal of physical chemistry a

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.756

H-Index - 235

eISSN - 1520-5215

pISSN - 1089-5639

DOI - 10.1021/acs.jpca.0c00623

Subject(s) - infrared , far infrared , synchrotron radiation , synchrotron , infrared spectroscopy , resolution (logic) , conformational isomerism , spectroscopy , high resolution , perturbation (astronomy) , near infrared spectroscopy , fourier transform infrared spectroscopy , fourier transform , chemistry , physics , nuclear magnetic resonance , optics , molecule , astronomy , computer science , remote sensing , organic chemistry , artificial intelligence , geology , quantum mechanics

The high resolution far-infrared spectrum of rans -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 , ν 10 and ν 24 , have been assigned using a combination of cross-correlation (ASAP software) and Loomis-Wood type (LWWa software) diagrams. While the ν 24 analysis was rather straightforward, ν 10 exhibits obvious signs of a strong perturbation, presumably owing to interaction with the dark ν 9 + ν 12 state. Effective rotational constants have been derived for both the v 10 = 1 and v 24 = 1 states. Since only one weak, infrared active fundamental band (ν 23 ) of rans -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 rans form.

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