کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1405576 | 1501791 | 2012 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Electronic structure and photoionization dissociation studies of chlorocarbonyl trifluoromethanesulfonate, CF3SO3C(O)Cl
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Chlorocarbonyl trifluoromethanesulfonate, CF3SO3C(O)Cl, was prepared by heterogeneous reaction of gaseous ClC(O)SCl with CF3SO3Ag. The electronic structure and photoionization dissociation were investigated by HeI photoelectron spectroscopy (PES) and photoionization mass spectroscopy (PIMS). The assignments of the bands in the PES were reasonably supported by previous studies on analogous molecules, as well as the outer-valence Green's function (OVGF) calculations. The experimental first vertical ionization potential of CF3SO3C(O)Cl was determined to be 12.36Â eV, which was assigned to the ionization mainly from the oxygen lone pair orbital. It shows three peaks: ClCO+ (63, 65), CF3+ (69) and CF3SO2+ (133) in the spectrum of PIMS, with the dominant features being the ClCO+ and CF3+ peaks. According to the calculated bond dissociation energies, the dissociation process was also discussed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1023, 12 September 2012, Pages 37-42
Journal: Journal of Molecular Structure - Volume 1023, 12 September 2012, Pages 37-42
نویسندگان
Wang XiaoPeng, Tong ShengRui, Ge MaoFa, Wang WeiGang, Wang DianXun,