位置：成果数据库 > 期刊 > 期刊详情页
光电子成像研究AgOCH3-和Ag-（CH30H）x（x=1，2）
  • ISSN号：1674-0068
  • 期刊名称：《化学物理学报》
  • 时间：0
  • 分类：O[理学]
  • 作者机构：[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予反应动力学国家重点实验室,大连116023
  • 相关基金：This work was supported by the National Natural Science Foundation of China （No.20933003 and No.21073186） and the National Basic Research Program of China （No.2007CBSI5203, No.2010CB732306, and No.2007CBSI5201）.
作者： 池超贤[1], 谢华[2], 从然[2], 唐紫超[2], 周鸣飞[1]
关键词： 银-甲醇配合物, 溶剂化, 光电子成像, 密度泛函, Silver methanol complex, Solvation, Photoelectron imaging, Density functionalcalculation
中文摘要：

用光电子成像技术和从头算法研究Ag-（CH30H）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（21eV．Ag-（CH3OH）1，2的结构可用甲醇溶剂化的Ag-来表征，其负电荷主要定域在金属Ag上．Ag-（CH30H）x（x=1，2）的垂直电离能随着甲醇溶剂分子个数的增加和溶剂化稳定作用的增强而逐渐变大．Ag-（CH3OH）2内存在甲醇分子问形成的传统氢键和甲醇分子与Ag-形成的离子氢键．

英文摘要：

The AgOCH3- and Ag-（CH3OH）x（x=l, 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）l,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=O, 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.

同期刊论文项目
　稀土催化新材料的制备与稀土催化作用研究
期刊论文 2
镧系金属团簇及其氧化物的结构和反应特性
期刊论文 24
锕系化合物的结构化学研究
期刊论文 54
同项目期刊论文
Photoelectron velocity-map imaging signature of structural evolution of silver-doped lead Zintl anio
Structure and Bonding in MPb5− (M = Cu, Ag, and Au): A Combined Investigation by Theoretical C
Structure of Au40/−1 in the gas phase: A joint geometry relaxed ab initio calculations and vib
Photoelectron imaging and theoretical calculations of gold-silver hydrides: comparing the characteri
Note: A novel dual-channel time-of-flight mass spectrometer for photoelectron imaging spectroscopy
Vibrationally Resolved Photoelectron Imaging of Cu2H− and AgCuH− and Theoretical Calcula
Photoelectron Imaging and Theoretical Calculations of Bimetallic Clusters: AgCu-, AgCu2-, and Ag2Cu-
Theoretical Study of Syngas Hydrogenation to Methanol on the Polar Zn-Terminated ZnO(0001) Surface
Is rhodium tetroxide in the formal oxidation state VIII stable ? a quantum chemical and matrix isola
Probing the electronic structure and chemical bonding of the “ staple ” motifs of thiola
Chemistry on Single Atoms : Spontaneous Hydrogen Production from Reactions of Transition ‐ Metal Ato
Theoretical studies on the complexation of uranyl with typical carboxylate and amidoximate ligands
On Two Different Objectives of the Concepts of Ionic Radii
Experimental and Theoretical Studies on the Fragmentation of Gas - Phase Uranyl–, Neptunyl&nda
Theoretical Studies on the Photoelectron and Absorption Spectra of MnO4 – and TcO4–
A Joint Photoelectron Spectroscopy and Theoretical Study on the Electronic Structure of UCl5? and UC
Probing the Electronic Structure and Chemical Bonding in Tricoordinate Uranyl Complexes UO2X3–
A Tetrapositive Metal Ion in the Gas Phase : Thorium ( IV ) Coordinated by Neutral Tridentate Ligand
A Water - Promoted Mechanism of Alcohol Oxidation on Au ( 111 ) Surface : Understanding toward the C
Deduction of Bond Length Changes of Symmetric Molecules from Experimental Vibrational Progressions ,
Matrix Isolation Spectroscopic and Theoretical Study of Water Adsorption and Hydrolysis on Molecular
Formation and Characterization of Two Interconvertible Side - On and End - On Bonded Beryllium Ozoni
The electronic structure and chemical bonding in gold dihydride: AuH 2- and AuH2
Oxidation States, Geometries, and Electronic Structures of Plutonium Tetroxide PuO4 Isomers: Is Octa
Titanium Oxide Complexes with Dinitrogen . Formation and Characterization of the Side - On and End -
Electron Affinities of the Early Lanthanide Monoxide Molecules
Photoelectron Imaging of Ag –( H2O ) x and AgOH –( H2O ) y ( x = 1 , 2 , y = 0 – 4
Geometries , electronic structures , and excited states of UN2, NUO+, and UO 2 2+: a combined CCSD (
Adsorption-induced structural changes of gold cations from two- to three-dimensions.
Unusual selectivity of gold catalysts for hydrogenation of 1 , 3 - butadiene toward cis - 2 - butene
Advances of computational actinoid chemistry in China
Planar Hexagonal B36 As A Potential Basis for Extended Single-Atom Layer Boron Sheets
Matrix Isolation Infrared Spectroscopic and Theoretical Study of the Reactions of Tantalum Oxide Mol
Photoelectron Imaging of AgOCH3 - and Ag-(CH3OH) x (x= 1, 2)
Excited States and Absorption Spectra of UF6 : A RASPT2 Theoretical Study with Spin – Orbit Co
Matrix Infrared Spectroscopic and Computational Investigations of the Lanthanide ? Methylene Complex
Aurophilic attractions between a closed - shell molecule and a gold cluster
Chemisorption - Induced 2D – 3D – 2D Structural Transitions in Gold Heptamer :(CO) n Au7
The mixed cyanide halide Au ( i ) complexes ,?( X = F , Cl , Br , and I ): evolution from ionic to c
Theoretical investigations of the catalytic role of water in propene epoxidation on gold nanocluster
Theoretical Investigations of Geometry , Electronic Structure and Stability of UO6 : Octahedral Uran
Insight into methanol synthesis from CO2 hydrogenation on Cu(111): Complex reaction network and the
Photoelectron Imaging and Spectroscopy of MI2 ?( M = Cs , Cu , Au ): Evolution from Ionic to Covalen
Vibrationally resolved photoelectron spectroscopy of di-gold carbonyl clusters Au2(CO)n- (n = 1-3):
Observation and investigation of the uranyl tetrafluoride dianion (UO 2F42-) and its solvation compl
Probing the nature of gold-carbon bonding in gold-alkynyl complexes.
Theoretical Study of the Luminescent States and Electronic Spectra of UO2Cl2 in an Argon Matrix
Photoelectron spectroscopy and theoretical studies of UF5 - and UF6-
Quadruple boding of carbon in terminal carbides
镧系一氧化物LnO（Ln=La, Ce,Pr,Nd）的电子亲和能
镧系一氧化物LnO（Ln=La, Ce,Pr,Nd）的电子亲和能
期刊信息
  • 《化学物理学报》
  • 中国科技核心期刊
  • 主管单位:中国科协
  • 主办单位:中国物理学会
  • 主编：杨学明
  • 地址：合肥中国科学技术大学
  • 邮编：230026
  • 邮箱：cjcp@ustc.edu.cn
  • 电话：0551-3601122
  • 国际标准刊号：ISSN：1674-0068
  • 国内统一刊号：ISSN：34-1295/O6
  • 邮发代号:26-62
  • 获奖情况:
  • 1998年获安徽省优秀科技期刊一等奖
  • 国内外数据库收录:
  • 俄罗斯文摘杂志,美国化学文摘（网络版）,荷兰文摘与引文数据库,美国科学引文索引（扩展库）,英国科学文摘数据库,日本日本科学技术振兴机构数据库,中国中国科技核心期刊,中国北大核心期刊（2004版）,英国英国皇家化学学会文摘,中国北大核心期刊（2000版）
  • 被引量:4282