Abstract
Trichloromethanesulfenyl benzoate, C 6H 5C(O)OSCCl 3 was prepared in the gas phase through gas–solid heterogeneous reaction between CCl 3SCl vapor and powdered C 6H 5C(O)OAg. The electronic structure of C 6H 5C(O)OSCCl 3 has been studied by photoelectron spectroscopy (PES), together with quantum chemical calculations. The S–O bond length ( r SO) and the torsional angle around S–O bond ( δ CSOC) of the gauche conformer are determined to be 1.691 Å and 104.4° at the MP2/6-311++G(d,p) level, respectively. The first vertical ionization energy of C 6H 5C(O)OSCCl 3 is 9.46 eV, as revealed by PES. The ionization process of the first ionization potential comes from the π orbital at benzene ring.
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