Half sandwich structures of MC6F6- (M = Ag and Au): An experimental and theoretical study

	Half sandwich structures of MC6F6- (M = Ag and Au): An experimental and theoretical study
	Sun, Zhang 1,3; Tang, Zichao 1,2; Gao, Zhen 1
刊名	journal of molecular structure
	2013-01-30
卷号	1032 页码:111-117
关键词	Anionic complexes Half sandwich structures Photoelectron spectroscopy Density functional theory
通讯作者	sun zhang
产权排序	待补充
合作状况	英
英文摘要	the metal-hexafluorobenzene anionic complexes of [mc6f6](-) (m = ag and au) were produced from the reactions between metal cluster generated by laser ablation and the hexafluorobenzene seeded in argon carrier gas, and were studied by photoelectron spectroscopy (pes) and density functional theory (dft). the adiabatic electron affinities (eas) of these corresponding complexes are measured from the experimental pe spectra at 193 nm photon energy. also, the calculated eas and the calculated density of states (dos) spectra of these complexes in the ground state are conducted, which are in good agreement with their experimental pe spectra. the most possible structures of the anions [agc6f6](-) and [auc6f6](-) are the half-sandwich structures with c-6v symmetry, in which the metal atom is above the center of the c6f6 plane. furthermore, the molecular orbital (mo) analysis of these species indicates that the additional electron of the anions binds on the metal. (c) 2012 elsevier b.v. all rights reserved.
学科主题	物理化学
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, physical
研究领域[WOS]	chemistry
关键词[WOS]	anion photoelectron-spectroscopy ; metal-benzene complexes ; gas-phase anions ; electronic-structure ; cluster anions ; vibrational spectroscopy ; exchange equilibria ; ionization energies ; bronsted acids ; ion
收录类别	SCI
资助信息	2，2
原文出处	117
语种	英语
WOS记录号	WOS:000313601100018
公开日期	2014-09-11
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/119220]
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, Beijing Natl Lab Mol Sci BNLMS, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 3.Hebei United Univ, Coll Chem Engn, Tangshan 063009, Peoples R China
推荐引用方式 GB/T 7714	Sun, Zhang,Tang, Zichao,Gao, Zhen. Half sandwich structures of MC6F6- (M = Ag and Au): An experimental and theoretical study[J]. journal of molecular structure,2013,1032:111-117.
APA	Sun, Zhang,Tang, Zichao,&Gao, Zhen.(2013).Half sandwich structures of MC6F6- (M = Ag and Au): An experimental and theoretical study.journal of molecular structure,1032,111-117.
MLA	Sun, Zhang,et al."Half sandwich structures of MC6F6- (M = Ag and Au): An experimental and theoretical study".journal of molecular structure 1032(2013):111-117.