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

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 stabilize...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2022-10, Vol.24 (39), p.247-2411
Main Authors: Osseiran, Noureddin, Neeman, Elias M, Dréan, Pascal, Goubet, Manuel, Huet, Thérèse R
Format: Article
Language:English
Subjects:
Chemical Sciences
Hydrogen bonds
Hydrogen sulfide
or physical chemistry
Quantum chemistry
Rotational spectra
Theoretical and
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Summary: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&z.dbd;C allows an internal dynamic of H 2 S. Non-covalent gas-phase interactions in 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.
ISSN:1463-9076
1463-9084
DOI:10.1039/d2cp03368b