A novel thioperoxide, chlorocarbonylsulfenyl acetate, ClC(O)SOC(O)CH3: Characterized by HeI photoelectron spectroscopy (PES), and theoretical investigation

Fluorocarbonylsulfur thiocyanate, FC(O)SSCN, was generated in the gas phase from a gas-solid reaction of FC(O)SCl on the surface of finely powdered AgSCN. The reaction products were detected and characterized in situ by photoelectron spectroscopy (PES) and photoionization mass spectrometry (PIMS). The geometrical and electronic structures of FC(O)SSCN were investigated by a combination of PES and PIMS experiments, and theoretical calculations. The title compound prefers a gauche conformation with the C=O groups syn to the S-S bond; the structure of the CSSC moiety is characterized by a dihedral angle δ CSSC = 89.5°and a bond length r SS = 2.071 Å [at the B3LYP/6-311+G(3df) level] re-

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Gas‐Phase Generation, Structure, Spectroscopy, and Quantum Chemical Calculations of Fluorocarbonylsulfur Thiocyanate, FC(O)SSCN

Tong

Yao

et al. 2008

Eur J Inorg Chem

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Experimental and theoretical study of a novel compound: Fluorocarbonylsulfenyl acetate, FC(O)SOC(O)CH3

Tong

Wang

et al. 2009

Journal of Molecular Structure

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Experimental and quantum chemical investigation on fluorocarbonylsulfenyl benzoate, FC(O)SOC(O)C6H5

Tong

Wang

et al. 2009

Journal of Molecular Structure

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A novel thioperoxide, chlorocarbonylsulfenyl acetate, ClC(O)SOC(O)CH3: Characterized by HeI photoelectron spectroscopy (PES), and theoretical investigation

Cited by 3 publications

References 38 publications

Gas‐Phase Generation, Structure, Spectroscopy, and Quantum Chemical Calculations of Fluorocarbonylsulfur Thiocyanate, FC(O)SSCN

Gas‐Phase Generation, Structure, Spectroscopy, and Quantum Chemical Calculations of Fluorocarbonylsulfur Thiocyanate, FC(O)SSCN

Experimental and theoretical study of a novel compound: Fluorocarbonylsulfenyl acetate, FC(O)SOC(O)CH3

Experimental and quantum chemical investigation on fluorocarbonylsulfenyl benzoate, FC(O)SOC(O)C6H5

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