Photoelectron Spectroscopy of CoC2H2- and Density Functional Study of ConC2H2 (n=1-3) Anion and Neutral Clusters
文献类型：期刊论文
| 作者 | Yuan, Jinyun1; Hou, Gao-Lei2; Yang, Baocheng1; Xu, Hong-Guang2; Zheng, Wei-Jun2 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2014-08-28 |
| 卷号 | 118期号:34页码:6757-6762 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/jp504933a |
| 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). |
| 语种 | 英语 |
| WOS记录号 | WOS:000341121000003 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/52271]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zheng, Wei-Jun |
| 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. |
入库方式： OAI收割
来源：化学研究所
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