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题名: Electronic properties and photofragmentation mechanisms of pyrosulfuryl chloride, ClSO2OSO2Cl
作者: Moreno Betancourt, Angelica1; Bava, Yanina B.1; Erben, Mauricio F.1; Cavasso Filho, Reinaldo L.2; Tong, Shengrui3; Ge, Maofa3; Della Vedova, Carlos O.1; Romano, Rosana M.1
关键词: Ionization potentials ; Photochemistry ; Coincidence techniques ; Radicals ; Synchrotron
刊名: JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
发表日期: 2016-06-30
卷: 324, 页:184-191
收录类别: SCI
英文摘要: The first ionization potential of ClSO2OSO2Cl, was determined by photoelectron spectroscopy at 12.25 eV. The photoelectron spectrum was interpreted, with the aid of DFF calculations, as composed by twelve ionizations of non-bonding electrons localized on the oxygen and chlorine atoms. Several resonant transitions of inner electrons to LUMOs were detected in the Total Ion Yield spectra taken with tuneable synchrotron radiation. Photofragmentation mechanisms of pyrosulfuryl chloride after single and double ionization were studied by means of coincidence techniques (PEPICO, Photoelectron-Photoion-Coincidence and PEPIPICO, Photoelectron-Photoion-Photoion-Cbincidence). The main fragmentation mechanism in the valence energy region leads to the formation of ClSO2OSO2+ fragment and a chlorine radical. Other fragments, like CISO2+, SO2+, ClO+ (arising from an atomic rearrangement) and SO3+ were observed to appear as the energy of the synchrotron light increases. The fragmentation channels after double ionization processes were inferred from the comparison of the shapes and experimental slopes of the coincidence islands for two ionic fragments originating from the same molecule in the PEPIPICO spectra, with the theoretical slopes calculated by the Eland's formalism. The mechanisms were independent of the incident radiation energy, revealing the lack of site-specific processes. All mechanisms were proposed to start from the rupture of either Cl-S or O-S single bonds for a species which comprises and originates a number of relevant environmental and atmospheric processes and photoevolutions. (C) 2016 Elsevier B.V. All rights reserved.
语种: 英语
内容类型: 期刊论文
URI标识: http://ir.iccas.ac.cn/handle/121111/36099
Appears in Collections:分子动态与稳态结构实验室_期刊论文

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作者单位: 1.Natl Univ La Plata, Fac Ciencias Exactas, Dept Quim, CCT CONICET La Plata,UNLP,CEQUINOR, Blvd 120 1465,CC 962, RA-1900 La Plata, Buenos Aires, Argentina
2.Univ Fed ABC, Av Estados 5001, BR-09210580 Santo Andre, SP, Brazil
3.Chinese Acad Sci, Inst Chem, BNLMS, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China
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