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High-resolution infrared spectra and rovibrational analysis of the v12 band of propylene oxide

Vávra, Karel
Döring, Eileen
Jakob, Jan
Peterß, Fabian
Kaufmann, Matin
Stahl, Pascal
Giesen, Thomas F.
Fuchs, Guido W.

The high-resolution infrared spectrum of the fundamental band ν12 (ring breathing) of the chiral molecule propylene oxide (CH3CHCH2O) was recorded at room temperature and under jet-cooled conditions using a quantum cascade laser at 8 μm. The observed lines with quantum numbers J ≤ 55 and Ka ≤ 21 were assigned to strong b- and c-type bands{,} and some low J transitions were classified as weak a-type transitions. The lines were fitted using a Watsons A-reduced Hamiltonian in the Ir representation. From the rovibrational analysis the band origin as well as the rotational constants and four quartic centrifugal distortion constants were derived.

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Gefördert im Rahmen des Projekts DEAL
Citation
In: Physical Chemistry, Chemical Physics (PCCP) Volume 26 / Issue 36 (2024-08-27) , S. 23886 - 23892; eissn:1463-9076
Collections
@article{doi:10.17170/kobra-2024110111050,
  author    ={Vávra, Karel and Döring, Eileen and Jakob, Jan and Peterß, Fabian and Kaufmann, Matin and Stahl, Pascal and Giesen, Thomas F. and Fuchs, Guido W.},
  title    ={High-resolution infrared spectra and rovibrational analysis of the v12 band of propylene oxide},
  keywords ={530 and 540 and 620 and Infrarotspektroskopie and Vibrationsananlyse and Propylenoxid},
  copyright  ={http://creativecommons.org/licenses/by/4.0/},
  language ={en},
  journal  ={Physical Chemistry, Chemical Physics (PCCP)},
  year   ={2024-08-27}
}