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Photoelectron Imaging of AgOCH3- and Ag-(CH3OH)x (x=1, 2)
Chao-xian Chi,Hua Xie,Ran Cong,Zi-chao Tang*,Ming-fei Zhou*
Author NameAffiliationE-mail
Chao-xian Chi Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China  
Hua Xie State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China  
Ran Cong State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China  
Zi-chao Tang* State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China  
Ming-fei Zhou* Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China mfzhou@fudan.edu.cn 
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:
光电子成像研究AgOCH3-和Ag-(CH3OH)x (x=1, 2)
池超贤,谢华,从然,唐紫超*,周鸣飞*
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: