Login / Signup

Insights into the non-covalent interactions of hydrogen sulfide with fenchol and fenchone from a gas-phase rotational study.

Noureddin OsseiranElias M NeemanPascal DréanManuel GoubetThérèse R Huet
Published in: Physical chemistry chemical physics : PCCP (2022)
The gas-phase non-covalent interactions in the endo -fenchol-H 2 S and fenchone-H 2 S complexes have been unveiled using rotational spectroscopy in a supersonic jet expansion and quantum chemical calculations. In endo -fenchol, the hydrogen bond HSH⋯OH together with dispersive interactions stabilizes the system. In fenchone, the weak interaction HSH⋯OC allows an internal dynamic of H 2 S.
Keyphrases
  • molecular dynamics
  • high resolution
  • density functional theory
  • ionic liquid
  • single molecule
  • solid phase extraction
  • mass spectrometry
  • gas chromatography mass spectrometry
  • gas chromatography
  • quantum dots