Photoelectron Spectroscopy of CoC2H2- and Density Functional Study of ConC2H2 (n=1-3) Anion and Neutral Clusters

	Photoelectron Spectroscopy of CoC2H2- and Density Functional Study of ConC2H2 (n=1-3) Anion and Neutral Clusters
	Yuan, Jinyun 1; Hou, Gao-Lei 2; Yang, Baocheng 1; Xu, Hong-Guang 2; Zheng, Wei-Jun 2
刊名	journal of physical chemistry a
	2014-08-28
卷号	118 期号:34 页码:6757-6762
英文摘要	the anionic and neutral conc2h2 (n = 1-3) dusters were investigated using anion photoelectron spectroscopy and density functional calculations. the adiabatic detachment energies and vertical detachment energies of conc2h2- (n = 1-3) were determined. our results show that the most stable geometries of anionic conc2h2- (n = 1-2) and neutral conc2h2 (n = 1-3) are composed of conc2h dusters adsorbing a hydrogen atom on the top or bridge sites of co-n, whereas co3c2h2- consists of a five-member ring of co3c2 carbide adsorbing two hydrogen atoms on two bridge sites of co-3. the reaction mechanisms show that the inserted isomer hcoc2h can convert into the vinylidene complex co=c=ch2 via a side-on isomer m-eta(2)-c2h2).
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, physical ; physics, atomic, molecular & chemical
研究领域[WOS]	chemistry ; physics
关键词[WOS]	electron-spin-resonance ; infrared-spectra ; matrix-isolation ; metal atoms ; acetylene complexes ; hm-cch ; m-eta(2)-c2h2 ; molecules ; energies ; products
收录类别	SCI
语种	英语
WOS记录号	WOS:000341121000003
公开日期	2016-05-09
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/145766]
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.Huanghe Sci & Technol Coll, Inst Nanostruct Funct Mat, Zhengzhou 450006, Henan, Peoples R China 2.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Yuan, Jinyun,Hou, Gao-Lei,Yang, Baocheng,et al. Photoelectron Spectroscopy of CoC2H2- and Density Functional Study of ConC2H2 (n=1-3) Anion and Neutral Clusters[J]. journal of physical chemistry a,2014,118(34):6757-6762.
APA	Yuan, Jinyun,Hou, Gao-Lei,Yang, Baocheng,Xu, Hong-Guang,&Zheng, Wei-Jun.(2014).Photoelectron Spectroscopy of CoC2H2- and Density Functional Study of ConC2H2 (n=1-3) Anion and Neutral Clusters.journal of physical chemistry a,118(34),6757-6762.
MLA	Yuan, Jinyun,et al."Photoelectron Spectroscopy of CoC2H2- and Density Functional Study of ConC2H2 (n=1-3) Anion and Neutral Clusters".journal of physical chemistry a 118.34(2014):6757-6762.