Vibrationally resolved photoelectron imaging of platinum carbonyl anion Pt(CO)n- (n 1-3): Experiment and theory | |
Liu, Zhiling ; Xie, Hua ; Qin, Zhengbo ; Cong, Ran ; Wu, Xia ; Tang, Zichao ; Lu, Xin ; He, Jian ; He J(何坚) | |
刊名 | http://dx.doi.org/10.1063/1.4768004 |
2012 | |
关键词 | Density functional theory Negative ions Photoelectron spectroscopy |
英文摘要 | Photodetachment of platinum carbonyl anions Pt(CO)n- (n 1, 3) had been previously investigated using traditional photoelectron spectroscopy (PES) [G. S. Icking-Konert, H. Handschuh, G. Gantefor, and W. Eberhardt, Phys. Rev. Lett. 76, 1047 (1996)10.1103/PhysRevLett.76.1047; B. Chatterjee, F. A. Akin, C. C. Jarrold, and K. Raghavachari, J. Chem. Phys. 119, 10591 (2003)]10.1063/1.1619131. Here, we studied Pt(CO)n- (n 1-3) using photoelectron velocity-map imaging method and extensive theoretical calculations. Vibrationally resolved spectra from photoelectron imaging experiments allow determination of the electron affinities of Pt(CO)n, which are 1.196 卤 0.034, 0.930 卤 0.042, and 1.253 卤 0.032 eV for n 1, 2, and 3, respectively. Two vibrational progressions are resolved for the ground states of Pt(CO) and Pt(CO) 3, while only one is resolved for that of Pt(CO)2. The frequencies are determined to be 2089 卤 91 and 581 卤 21 cm -1 for Pt(CO), 2173 卤 115 cm-1 for Pt(CO) 2 and 2119 卤 88 and 444 卤 18 cm-1 for Pt(CO)3. Results from density functional theory and ab initio calculations agreed well with the experimental observations. The spectra were well reproduced by Franck-Condon fitting on the basis of the optimized geometries and the theoretical frequencies. The well-resolved PES also provided valuable benchmarks for various density functionals (B3LYP, BP86, and PW91PW91) for the platinum carbonyls. 漏 2012 American Institute of Physics. |
语种 | 英语 |
出版者 | American Institute of Physics |
内容类型 | 期刊论文 |
源URL | [http://dspace.xmu.edu.cn/handle/2288/92166] |
专题 | 物理技术-已发表论文 |
推荐引用方式 GB/T 7714 | Liu, Zhiling,Xie, Hua,Qin, Zhengbo,et al. Vibrationally resolved photoelectron imaging of platinum carbonyl anion Pt(CO)n- (n 1-3): Experiment and theory[J]. http://dx.doi.org/10.1063/1.4768004,2012. |
APA | Liu, Zhiling.,Xie, Hua.,Qin, Zhengbo.,Cong, Ran.,Wu, Xia.,...&何坚.(2012).Vibrationally resolved photoelectron imaging of platinum carbonyl anion Pt(CO)n- (n 1-3): Experiment and theory.http://dx.doi.org/10.1063/1.4768004. |
MLA | Liu, Zhiling,et al."Vibrationally resolved photoelectron imaging of platinum carbonyl anion Pt(CO)n- (n 1-3): Experiment and theory".http://dx.doi.org/10.1063/1.4768004 (2012). |
个性服务 |
查看访问统计 |
相关权益政策 |
暂无数据 |
收藏/分享 |
除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。
修改评论