Cluster-pi Interactions Cause Size-Selective Reactivity of Cationic Silver Clusters with Acetylene: The Distinctive Ag-7(+)[C2H2]

doi:10.1021/acs.jpca.9b06502

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	Cluster-pi Interactions Cause Size-Selective Reactivity of Cationic Silver Clusters with Acetylene: The Distinctive Ag-7(+)[C2H2]
	Yang, Mengzhou; Wu, Haiming; Huang, Benben; Luo, Zhixun
刊名	JOURNAL OF PHYSICAL CHEMISTRY A
	2019-08-15
卷号	123 期号:32 页码:6921-6926
ISSN号	1089-5639
DOI	10.1021/acs.jpca.9b06502
英文摘要	Utilizing a customized multiple-ion laminar flow tube reactor in tandem with a triple quadrupole mass spectrometer, we report a study of the gas-phase reactivity of Ag-n(+) clusters with acetylene. Well-resolved Ag-n(+) clusters (n = 1-20) are produced by a self-designed magnetron sputtering source (MagS); however, on their reactions with acetylene under sufficient collisional conditions, only Ag-7(+)[C2H2] is produced with a reasonable intensity. DFT calculations reveal that Ag-n(+) clusters do not form strong Ag-C bonds with C2H2 and Ag-7(+)[C2H2] bears larger binding energy than the other Ag-n(+)[C2H2] although within similar cluster-pi interactions. Besides gas-phase reaction rate estimation, the relatively large noncovalent cluster-pi interaction in Ag-7(+)[C2H2] is fully demonstrated via topological analysis and natural bonding orbital analysis. Also, we illustrate both thermodynamically and kinetically favored channels in producing the Ag-7(+)[C2H2]. This study helps in understanding metal-involved noncovalent bonds and how such weak interactions are able to tune the material function and biological activity.
语种	英语
WOS记录号	WOS:000481568000011
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/82657]
专题	中国科学院化学研究所
作者单位	Chinese Acad Sci, Inst Chem, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Yang, Mengzhou,Wu, Haiming,Huang, Benben,et al. Cluster-pi Interactions Cause Size-Selective Reactivity of Cationic Silver Clusters with Acetylene: The Distinctive Ag-7(+)[C2H2][J]. JOURNAL OF PHYSICAL CHEMISTRY A,2019,123(32):6921-6926.
APA	Yang, Mengzhou,Wu, Haiming,Huang, Benben,&Luo, Zhixun.(2019).Cluster-pi Interactions Cause Size-Selective Reactivity of Cationic Silver Clusters with Acetylene: The Distinctive Ag-7(+)[C2H2].JOURNAL OF PHYSICAL CHEMISTRY A,123(32),6921-6926.
MLA	Yang, Mengzhou,et al."Cluster-pi Interactions Cause Size-Selective Reactivity of Cationic Silver Clusters with Acetylene: The Distinctive Ag-7(+)[C2H2]".JOURNAL OF PHYSICAL CHEMISTRY A 123.32(2019):6921-6926.