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Photoelectron Imaging of AgOCH3- and Ag-(CH3OH)x (x=1, 2)
Chao-xian Chi1, Hua Xie2, Ran Cong2, Zi-chao Tang*2, Ming-fei Zhou*1
1.Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China;2.State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China
Abstract:
The AgOCH3- and Ag-(CH3OH)x (x=1, 2) anions are studied by photoelectron imaging as well as ab initio calculations. The adiabatic and vertical detachment energies (ADE and VDE) of AgOCH3- are determined as 1.29(2) and 1.34(2) eV, respectively, from the vibrational resolved photoelectron spectrum. The Ag-(CH3OH)1,2 anionic complexes are characterized as metal atomic anion solvated by the CH3OH molecules with the electron mainly localized on the metal. The photoelectron spectra of Ag-(CH3OH)x (x=0, 1, 2) show a gradual increase in VDE with increasing x, due to the solvent stabilization. Evidence for the methanol-methanol hydrogen bonding interactions appears when the Ag- is solvated by two methanol molecules.
Key words:  Silver methanol complex, Solvation, Photoelectron imaging, Density functional calculation
FundProject:
附件
光电子成像研究AgOCH3-和Ag-(CH3OH)x (x=1, 2)
池超贤1, 谢华2, 从然2, 唐紫超*2, 周鸣飞*1
1.复旦大学化学系上海市分子催化和功能材料重点实验室,上海200433;2.中国科学院大连化学物理研究所分子反应动力学国家重点实验室,大连116023
摘要:
用光电子成像技术和从头算法研究Ag-(CH3OH)x (x=1, 2)和AgOCH3-. 从AgOCH3-振动分辨的光电子谱得 到AgOCH3-的绝热和垂直电离能分别为1.29(2)和1.34(2) eV. Ag-(CH3OH)1,2
关键词:  银-甲醇配合物,溶剂化,光电子成像,密度泛函
DOI:10.1088/1674-0068/24/05/557-562
分类号: