Outermost and Inner-Shell Electronic Properties of ClC(O)SCH2CH3 Studied Using HeI Photoelectron Spectroscopy and Synchrotron Radiation

doi:10.1021/jp112182x

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	Outermost and Inner-Shell Electronic Properties of ClC(O)SCH2CH3 Studied Using HeI Photoelectron Spectroscopy and Synchrotron Radiation
	Rodriguez Pirani, Lucas S.1; Erben, Mauricio F.1; Gerones, Mariana 1; Ma, Chunping 3; Ge, Maofa 3; Romano, Rosana M.1; Cavasso Filho, Reinaldo L.4; Della Vedova, Carlos O.1,2
刊名	JOURNAL OF PHYSICAL CHEMISTRY A
	2011-06-02
卷号	115 期号:21 页码:5307-5318
ISSN号	1089-5639
DOI	10.1021/jp112182x
英文摘要	A study of valence electronic properties of S-ethyl chlorothioformate (S-ethyl chloromethanethioate), CIC(O) SCH2CH3, using HeI photoelectron spectra (PES) and synchrotron radiation is presented. Moreover, the photon impact excitation and dissociation dynamics of CIC(O)SCH2CH3 excited at the S 2p and Cl 2p levels are elucidated by analyzing the total ion yield (TIY) spectra and time-of-flight mass spectra acquired in multicoincidence mode [photoelectron-photoion coincidence (PEPICO) and photoelectron-photoion-photoion coincidence (PEPIPICO)]. The HeI photoelectron spectrum is dominated by features associated with lone-pair electrons from the CIC(O)S-group, the HOMO at 9.84 eV being assigned to the n(pi)(S) sulfur lone-pair orbital. Whereas the formation of C2H5+ ion dominates the fragmentation in the valence energy region, the most abundant ion formed in both the S and Cl 2p energy ranges is C2H3+. Comparison with related XC(O)SR (X = H, F, Cl and R= -CH3, -C2H5) species reveals the impact of the alkyl chain on the photodissociation behavior of S-alkyl (halo)thioformates.
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000290914500008
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/73675]
专题	中国科学院化学研究所
通讯作者	Erben, Mauricio F.
作者单位	1.Natl Univ La Plata, Fac Ciencias Exactas, Dept Quim, CEQUINOR CONICET UNLP, RA-1900 La Plata, Buenos Aires, Argentina 2.LaSeISiC UNLP CIC CONICET, Lab Serv Ind & Sistema Cientif, RA-1903 Gonnet, Argentina 3.Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci BNLMS, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100080, Peoples R China 4.Univ Fed ABC, BR-09090400 Santo Andre, SP, Brazil
推荐引用方式 GB/T 7714	Rodriguez Pirani, Lucas S.,Erben, Mauricio F.,Gerones, Mariana,et al. Outermost and Inner-Shell Electronic Properties of ClC(O)SCH2CH3 Studied Using HeI Photoelectron Spectroscopy and Synchrotron Radiation[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2011,115(21):5307-5318.
APA	Rodriguez Pirani, Lucas S..,Erben, Mauricio F..,Gerones, Mariana.,Ma, Chunping.,Ge, Maofa.,...&Della Vedova, Carlos O..(2011).Outermost and Inner-Shell Electronic Properties of ClC(O)SCH2CH3 Studied Using HeI Photoelectron Spectroscopy and Synchrotron Radiation.JOURNAL OF PHYSICAL CHEMISTRY A,115(21),5307-5318.
MLA	Rodriguez Pirani, Lucas S.,et al."Outermost and Inner-Shell Electronic Properties of ClC(O)SCH2CH3 Studied Using HeI Photoelectron Spectroscopy and Synchrotron Radiation".JOURNAL OF PHYSICAL CHEMISTRY A 115.21(2011):5307-5318.