Photoelectron Imaging and Theoretical Calculations of Bimetallic Clusters: AgCu-, AgCu2-, and Ag2Cu-
文献类型：期刊论文
| 作者 | Xie, Hua1; Li, Xiaoyi2; Zhao, Lijuan2; Qin, Zhengbo1; Wu, Xia1; Tang, Zichao1; Xing, Xiaopeng2 |
| 刊名 | journal of physical chemistry a
 |
| 出版日期 | 2012-10-25 |
| 卷号 | 116期号:42页码:10365-10370 |
| 英文摘要 | bimetallic clusters of agcu-, agcu2-, and ag2cu- are investigated by using photoelectron imaging and theoretical calculations. their photoelectron spectra have been obtained at the wavelength of 355 nm and that of agcu- is also acquired at 1064 nm. the ground state vertical detachment energies of these three clusters are measured to be 0.96 (1), 2.39 (5), and 2.41 (5) ev. the ground state adiabatic detachment energy of agcu- is measured to be 0.93 (1) ev. other spectroscopic constants of agcu- including its frequency, bond length, and dissociation energy (relative to the products ag- and cu) are determined to be 191(15) cm(-1), 2.487(10) angstrom, and 1.39 ev according to its spectrum at 1064 nm. only upper limits of the ground state adiabatic detachment energies of agcu2- and ag2cu- are estimated by using their spectra at 355 nm. the structures and properties of agcu-, agcu2-, ag2cu-, and their neutral counterparts are also computed by using a strategy, where the structural optimizations are performed with the pw91pw91 method and the energy calculations are performed with the ccsd (t) method. the calculations are in better agreement with the experiments than most of the previous theoretical work. |
| 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] | ib metals cu ; anions ; spectroscopy ; au ; ions ; trimers ; dimers ; reactivity ; molecules ; group-11 |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000310120800012 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/143135]  |
| 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, Coll Mat Sci & Optoelect Technol, Grad Univ, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xie, Hua,Li, Xiaoyi,Zhao, Lijuan,et al. Photoelectron Imaging and Theoretical Calculations of Bimetallic Clusters: AgCu-, AgCu2-, and Ag2Cu-[J]. journal of physical chemistry a,2012,116(42):10365-10370. |
| APA | Xie, Hua.,Li, Xiaoyi.,Zhao, Lijuan.,Qin, Zhengbo.,Wu, Xia.,...&Xing, Xiaopeng.(2012).Photoelectron Imaging and Theoretical Calculations of Bimetallic Clusters: AgCu-, AgCu2-, and Ag2Cu-.journal of physical chemistry a,116(42),10365-10370. |
| MLA | Xie, Hua,et al."Photoelectron Imaging and Theoretical Calculations of Bimetallic Clusters: AgCu-, AgCu2-, and Ag2Cu-".journal of physical chemistry a 116.42(2012):10365-10370. |
入库方式： OAI收割
来源：大连化学物理研究所
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