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题名: Photoelectron Imaging of AgOCH3- and Ag-(CH3OH)(x) (x=1, 2)
作者: Chi, Chao-xian2;  Xie, Hua1;  Cong, Ran1;  Tang, Zi-chao1;  Zhou, Ming-fei2
关键词: Silver methanol complex ;  Solvation ;  Photoelectron imaging ;  Density functional calculation
刊名: CHINESE JOURNAL OF CHEMICAL PHYSICS
发表日期: 2011-10-01
DOI: 10.1088/1674-0068/24/05/557-562
卷: 24, 期:5, 页:557-562
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
英文摘要: 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.
关键词[WOS]: EFFECTIVE CORE POTENTIALS ;  LIQUID METHANOL ;  GAS-PHASE ;  AB-INITIO ;  VIBRATIONAL SPECTROSCOPY ;  MOLECULAR CALCULATIONS ;  SOLVATION DYNAMICS ;  ELECTRON-AFFINITIES ;  DILUTE-SOLUTIONS ;  HCL SOLVATION
语种: 英语
WOS记录号: WOS:000297139200009
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142527
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Fudan Univ, Dept Chem, Shanghai Key Lab Mol Catalysts & Innovat Mat, Shanghai 200433, Peoples R China

Recommended Citation:
Chi, Chao-xian,Xie, Hua,Cong, Ran,et al. Photoelectron Imaging of AgOCH3- and Ag-(CH3OH)(x) (x=1, 2)[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2011,24(5):557-562.
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