Vibrationally Resolved Photoelectron Imaging of Cu2H- and AgCuH- and Theoretical Calculations
文献类型：期刊论文
| 作者 | Xie, Hua1; Li, Xiaoyi2; Zhao, Lijuan2; Liu, Zhiling1; Qin, Zhengbo1; Wu, Xia1; Tang, Zichao1; Xing, Xiaopeng2 |
| 刊名 | journal of physical chemistry a
 |
| 出版日期 | 2013-02-28 |
| 卷号 | 117期号:8页码:1706-1711 |
| 英文摘要 | vibrationally resolved photoelectron spectra have been obtained for cu2h- and agcuh- using photoelectron imaging at 355 nm. two transition bands x and a are observed for each spectrum. the x bands in both spectra show the vibration progressions of the cu-h stretching mode and the broad peaks of these progressions indicate significant structural changes from cu2h- and agcuh- to their neutral ground states. the a bands in the spectra of cu2h- and cuagh- show stretching progressions of cu-cu and ag-cu, respectively. the contours of these two progressions are pretty narrow, indicating relatively small structural changes from cu2h- and agcuh- to their neutral excited states. calculations based on density functional theory indicate that the ground states of cu2h- and agcuh- and the first excited states of their neutrals are linear, whereas their neutral ground states are bent. the photoelectron detachment energies and vibrational frequencies from these calculations are in good agreement with the experimental observations. especially, the theoretical predication of linear structures for the anions and the neutral excited states are supported by the spectral features of a bands, in which the bending modes are inactive. comparisons among the vertical detachment energies of cu2h-, agcuh-, and their analogs help to elucidate electronic characteristics of coinage metal elements and hydrogen in small clusters. |
| 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] | silver cluster hydrides ; coinage metal-hydrides ; gas-phase synthesis ; gold clusters ; electronic-properties ; hydrogen binding ; infrared-spectra ; basis-sets ; spectroscopy ; au |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000315707800004 |
| 公开日期 | 2015-11-10 |
| 源URL | [http://159.226.238.44/handle/321008/137559]  |
| 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.Univ Chinese Acad Sci, Coll Mat Sci & Optoelect Technol, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xie, Hua,Li, Xiaoyi,Zhao, Lijuan,et al. Vibrationally Resolved Photoelectron Imaging of Cu2H- and AgCuH- and Theoretical Calculations[J]. journal of physical chemistry a,2013,117(8):1706-1711. |
| APA | Xie, Hua.,Li, Xiaoyi.,Zhao, Lijuan.,Liu, Zhiling.,Qin, Zhengbo.,...&Xing, Xiaopeng.(2013).Vibrationally Resolved Photoelectron Imaging of Cu2H- and AgCuH- and Theoretical Calculations.journal of physical chemistry a,117(8),1706-1711. |
| MLA | Xie, Hua,et al."Vibrationally Resolved Photoelectron Imaging of Cu2H- and AgCuH- and Theoretical Calculations".journal of physical chemistry a 117.8(2013):1706-1711. |
入库方式： OAI收割
来源：大连化学物理研究所
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