Synthesis, characterization and gas phase conformational properties of chlorodifluoroacetylsulfenyl chloride, CF2ClC(O)SCl

Journal of Molecular Structure(2022)

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摘要
•A new simple species, CF2ClC(O)SCl, was prepared by reacting CF2ClC(O)SH and Cl2.•The conformational landscape in the gas phase was determined.•The most stable form displays gauche orientation between the CF2Cl- and C=O groups.•A second conformer with CS symmetry and relative abundance of 30 % is also found.•NBO population analysis suggest occurrence of lpπ(S)→π*(C=O) resonance interaction.
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关键词
Conformational properties,Infrared spectroscopy,Raman spectroscopy,Chlorodifluoroacetylsulfenyl chloride,NBO analysis
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