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Photoelectron Imaging of AgOCH3- and Ag-(CH3OH)(x) (x=1, 2)
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
2011-10-01
DOI10.1088/1674-0068/24/05/557-562
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
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
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.
语种英语
WOS记录号WOS:000297139200009
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/142527
专题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.Fudan Univ, Dept Chem, Shanghai Key Lab Mol Catalysts & Innovat Mat, Shanghai 200433, Peoples R China
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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.
APA Chi, Chao-xian,Xie, Hua,Cong, Ran,Tang, Zi-chao,&Zhou, Ming-fei.(2011).Photoelectron Imaging of AgOCH3- and Ag-(CH3OH)(x) (x=1, 2).CHINESE JOURNAL OF CHEMICAL PHYSICS,24(5),557-562.
MLA Chi, Chao-xian,et al."Photoelectron Imaging of AgOCH3- and Ag-(CH3OH)(x) (x=1, 2)".CHINESE JOURNAL OF CHEMICAL PHYSICS 24.5(2011):557-562.
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