Gas-Phase Reactions of Carbon Dioxide with Copper Hydride Anions Cu2H2-: Temperature-Dependent Transformation

doi:10.1021/acs.jpcc.8b05216

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	Gas-Phase Reactions of Carbon Dioxide with Copper Hydride Anions Cu2H2-: Temperature-Dependent Transformation
	Liu, Yun-Zhu 1,2; Jiang, Li-Xue 1,2; Li, Xiao-Na 1,3; Wang, Li-Na 1,2; Chen, Jiao-Jiao 1,2; He, Sheng-Gui 1,2,3
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2018-08-30
卷号	122 期号:34 页码:19379-19384
ISSN号	1932-7447
DOI	10.1021/acs.jpcc.8b05216
英文摘要	The hydrogenation of carbon dioxide into value-added chemicals is of great importance for CO2 recycling. However, the underlying mechanism of CO2 hydrogenation remains elusive owing to the lack of experimental evidence for the formation of the C-H bond. Herein, the gas-phase reaction of copper hydride anion Cu2H2- with CO(2 )at variable temperatures (similar to 300-560 K) was investigated. Metal hydrides are the ideal models to study the nature of C-H bond formation in CO2 hydrogenation, while the related studies are scarcely reported, particularly for the hydrogenation reactions at temperatures above 300 K. The generation of formate (HCO2-) attached on product CuH2CO2- was identified by temperature-dependent mass spectrometric experiments and density functional theory calculations. Temperature played crucial roles to fine-tune the product selectivity, from Cu2H2CO2- that dominates the room-temperature reaction into CuH2CO2- at elevated temperatures. The nature behind the temperature-dependent product selectivity and the mechanism of CO2 hydrogenation has been interpreted by using theoretical calculations. The combined experimental and computational studies have provided solid evidence for the formation of formate attached in CuH2CO2-.
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000443923500010
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/41897]
专题	中国科学院化学研究所
通讯作者	Li, Xiao-Na; He, Sheng-Gui
作者单位	1.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.CAS Res Educ Ctr Excellence Mol Sci, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Liu, Yun-Zhu,Jiang, Li-Xue,Li, Xiao-Na,et al. Gas-Phase Reactions of Carbon Dioxide with Copper Hydride Anions Cu2H2-: Temperature-Dependent Transformation[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2018,122(34):19379-19384.
APA	Liu, Yun-Zhu,Jiang, Li-Xue,Li, Xiao-Na,Wang, Li-Na,Chen, Jiao-Jiao,&He, Sheng-Gui.(2018).Gas-Phase Reactions of Carbon Dioxide with Copper Hydride Anions Cu2H2-: Temperature-Dependent Transformation.JOURNAL OF PHYSICAL CHEMISTRY C,122(34),19379-19384.
MLA	Liu, Yun-Zhu,et al."Gas-Phase Reactions of Carbon Dioxide with Copper Hydride Anions Cu2H2-: Temperature-Dependent Transformation".JOURNAL OF PHYSICAL CHEMISTRY C 122.34(2018):19379-19384.