Photoelectron Velocity-Map Imaging and Theoretical Studies of Heterotrinuclear Metal Carbonyls V2Ni(CO)&ITn&IT- (&ITn&IT=6-10)
文献类型：期刊论文
| 作者 | Zhang, Jumei1,2; Xie, Hua1; Li, Gang1; Kong, Xiangtao1; Fan, Hongjun1; Jiang, Ling1 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2018-01-11 |
| 卷号 | 122期号:1页码:53-59 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/acs.jpca.7b09230 |
| 文献子类 | Article |
| 英文摘要 | Photoelectron velocity-map imaging spectroscopy was conducted for the heterotrinuclear metal carbonyls V2Ni(CO)(n)(- )(n = 6-10). Electronic structure calculations were performed to understand the experimental spectral features. The binding motif of a V-V-Ni chain with two side-on-bonded carbonyls and two bridging carbonyls is favored in the n = 6-9 clusters. A V2Ni triangle core structure is formed at n = 10 with the involvement of two carbonyls with the carbon atom triply coordinated to metal atoms, three bridging carbonyls, and five terminal carbonyls, in which CO bonding configurations mirror the adsorption features in the threefold hollow, bridging, and atop sites on the closely packed surface, respectively. The present study provides a stepwise picture for molecular level understanding of CO bonding on heteronuclear metal clusters, which is directly relevant to the elementary processes of CO on the alloy surfaces/interfaces. |
| WOS关键词 | INFRARED PHOTODISSOCIATION SPECTROSCOPY ; DENSITY-FUNCTIONAL-THEORY ; GAS-PHASE ; CLUSTER CATIONS ; CO DISSOCIATION ; ANIONS ; MOLECULES ; TRIPLE ; PHOTOCONVERSION ; ACTIVATION |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000422813700007 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/168616]  |
| 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 |
| 通讯作者 | Jiang, Ling |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, Collaborat Innovat Ctr Chem Energy & Mat iChEM, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Peoples R China 2.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Jumei,Xie, Hua,Li, Gang,et al. Photoelectron Velocity-Map Imaging and Theoretical Studies of Heterotrinuclear Metal Carbonyls V2Ni(CO)&ITn&IT- (&ITn&IT=6-10)[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2018,122(1):53-59. |
| APA | Zhang, Jumei,Xie, Hua,Li, Gang,Kong, Xiangtao,Fan, Hongjun,&Jiang, Ling.(2018).Photoelectron Velocity-Map Imaging and Theoretical Studies of Heterotrinuclear Metal Carbonyls V2Ni(CO)&ITn&IT- (&ITn&IT=6-10).JOURNAL OF PHYSICAL CHEMISTRY A,122(1),53-59. |
| MLA | Zhang, Jumei,et al."Photoelectron Velocity-Map Imaging and Theoretical Studies of Heterotrinuclear Metal Carbonyls V2Ni(CO)&ITn&IT- (&ITn&IT=6-10)".JOURNAL OF PHYSICAL CHEMISTRY A 122.1(2018):53-59. |
入库方式： OAI收割
来源：大连化学物理研究所
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