Photoelectron imaging and theoretical calculations of gold-silver hydrides: comparing the characteristics of Au, Ag and H in small clusters

	Photoelectron imaging and theoretical calculations of gold-silver hydrides: comparing the characteristics of Au, Ag and H in small clusters
	Xie, Hua 1; Xing, Xiaopeng 2; Liu, Zhiling 1; Cong, Ran 1; Qin, Zhengbo 1; Wu, Xia 1; Tang, Zichao 1; Fan, Hongjun 1
刊名	physical chemistry chemical physics
	2012
卷号	14 期号:33 页码:11666-11672
通讯作者	唐紫超 ; 樊红军
产权排序	1,1
英文摘要	structures and electronic properties of the mixed metal hydride anions auagh-, au2agh-, auag2h- and their neutrals are studied using anionic photoelectron imaging and theoretical calculations. the three isomers of auagh- are determined to be linear and those of auagh are determined to have c-s symmetry. the structures of au2agh-, auag2h- and their corresponding neutrals are determined to be planar with c-s or c-2v symmetries. the vertical detachment energies (vdes) and adiabatic detachment energies (ades) of these anions are reported. similar to the homonuclear au-m(-) and ag-n(-) clusters, the metal hydride anions with an even number of valence electrons have higher vdes than those with an odd number. variation of the vdes of these metal hydride anions with interchange of au, ag and h (for example aumagn- -> aum-1agn (+) (-)(1), or aum-1agnh-) will be shown to be characterized by the electronegativities of au, ag and h. the results presented in this study provide important insights into the similar and different characteristics of these three elements in small clusters.
学科主题	物理化学
类目[WOS]	chemistry, physical ; physics, atomic, molecular & chemical
研究领域[WOS]	chemistry ; physics
关键词[WOS]	basis-sets ; hydrogen ; cu ; spectroscopy ; anions ; atoms ; reactivity ; molecules ; chemistry ; group-11
收录类别	SCI
语种	英语
WOS记录号	WOS:000307017800012
公开日期	2013-10-11
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/118189]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 2.Chinese Acad Sci, Grad Univ, Coll Mat Sci & Optoelect Technol, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Xie, Hua,Xing, Xiaopeng,Liu, Zhiling,et al. Photoelectron imaging and theoretical calculations of gold-silver hydrides: comparing the characteristics of Au, Ag and H in small clusters[J]. physical chemistry chemical physics,2012,14(33):11666-11672.
APA	Xie, Hua.,Xing, Xiaopeng.,Liu, Zhiling.,Cong, Ran.,Qin, Zhengbo.,...&Fan, Hongjun.(2012).Photoelectron imaging and theoretical calculations of gold-silver hydrides: comparing the characteristics of Au, Ag and H in small clusters.physical chemistry chemical physics,14(33),11666-11672.
MLA	Xie, Hua,et al."Photoelectron imaging and theoretical calculations of gold-silver hydrides: comparing the characteristics of Au, Ag and H in small clusters".physical chemistry chemical physics 14.33(2012):11666-11672.