Reactions of Sulfur- and Oxygen-Containing Anions with Hydrogen Atoms: A Comparative Study

doi:10.1021/acs.jpclett.7b02641

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	Reactions of Sulfur- and Oxygen-Containing Anions with Hydrogen Atoms: A Comparative Study
	Li, Ya-Ke 1,2,3; Wang, Zhe-Chen 1; He, Sheng-Gui 2,3; Bierbaum, Veronica M.1
刊名	JOURNAL OF PHYSICAL CHEMISTRY LETTERS
	2017-12-07
卷号	8 期号:23 页码:5725-5729
ISSN号	1948-7185
DOI	10.1021/acs.jpclett.7b02641
英文摘要	Reactions of hydrogen atoms with small sulfur-containing anions, SCN-, CH3COS-, C6H5COS-, -SCH2COOH, C6H5S-, 2-HOOCC6H4S-, and related oxygen containing anions, OCN-, CH3COO-, C6H5COO-, HOCH2COO-, C6H5O-, 2-HOOCC6H4O-, have been studied both experimentally and computationally. The experimental results show that associative electron detachment (AED) is the only channel for the reactions. The rate constants for reactions between sulfur-containing anions and H atoms are generally higher than for the related oxygen-containing anions with the exception of the reaction of SCN-. The generally higher reactivity of the sulfur anions contrasts with previous results where AED reactivity was found to correlate with reaction exothermicity. Density functional theory calculations indicate that the reaction enthalpies, the characteristics of the reaction potential energy surfaces, and other structural and electronic factors can influence the reaction rate constants. This study indicates that organic sulfur anions can be more reactive than related oxygen anions in the interstellar medium where hydrogen atoms are abundant.
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000417671200007
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/45283]
专题	中国科学院化学研究所
通讯作者	Bierbaum, Veronica M.
作者单位	1.Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA 2.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Li, Ya-Ke,Wang, Zhe-Chen,He, Sheng-Gui,et al. Reactions of Sulfur- and Oxygen-Containing Anions with Hydrogen Atoms: A Comparative Study[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2017,8(23):5725-5729.
APA	Li, Ya-Ke,Wang, Zhe-Chen,He, Sheng-Gui,&Bierbaum, Veronica M..(2017).Reactions of Sulfur- and Oxygen-Containing Anions with Hydrogen Atoms: A Comparative Study.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,8(23),5725-5729.
MLA	Li, Ya-Ke,et al."Reactions of Sulfur- and Oxygen-Containing Anions with Hydrogen Atoms: A Comparative Study".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 8.23(2017):5725-5729.