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

Abstract

The gas-phase non-covalent interactions in the endo-fenchol–H₂S and fenchone–H₂S 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⋯OC allows an internal dynamic of H₂S.