English

(Sub-)millimeter-wave spectroscopy of gauche-propanal

Chemical Physics 2022-06-28 v1 Astrophysics of Galaxies Solar and Stellar Astrophysics

Abstract

A detailed analysis of (sub-)millimeter-wave spectra of the vibrational ground state (υ=0\upsilon=0) combined with the energetically lowest excited vibrational state (υ24=1\upsilon_{24}=1; aldehyde torsion) of gauche-propanal (g-C2_2H5_5CHO) up to 500 GHz is presented. Both vibrational states, υ=0\upsilon=0 and υ24=1\upsilon_{24}=1, are treated with tunneling rotation interactions between their two respective tunneling states, which originate from two stable degenerate gauche-conformers; left- and right-handed configurations separated by a small potential barrier. Thanks to double-modulation double-resonance (DM-DR) measurements, important but weak cc-type transitions connecting the tunneling states could be unambiguously assigned. In addition, Coriolis interaction as well as Fermi resonance between the two vibrational states needed to be taken into account to derive fits with experimental accuracy using Pickett's SPFIT program in a reduced axis system (RAS). Based on the rotational analysis, the fundamental vibrational frequency ν24\nu_{24} of gauche-propanal is redetermined to 68.75037(30) cm1^{-1}.

Keywords

Cite

@article{arxiv.2112.04945,
  title  = {(Sub-)millimeter-wave spectroscopy of gauche-propanal},
  author = {Oliver Zingsheim and Holger S. P. Müller and Luis Bonah and Frank Lewen and Sven Thorwirth and Stephan Schlemmer},
  journal= {arXiv preprint arXiv:2112.04945},
  year   = {2022}
}

Comments

accepted manuscript by Journal of Molecular Spectroscopy; 16 pages (11 main paper + 5 SM); 12 Figures (8+4)