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Initial hydration behavior of sodium iodide dimer: photoelectron spectroscopy and ab initio calculations
文献类型:期刊
作者:Li, Ren-Zhong[1]  Hou, Gao-Lei[2]  Liu, Cheng-Wen[3]  Xu, Hong-Guang[4]  Zhao, Xiang[5]  Gao, Yi Qin[6]  Zheng, Wei-Jun[7]  
机构:[1]Xian Polytech Univ, Coll Elect & Informat, Xian 710048, Peoples R China.;Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China.;Xi An Jiao Tong Univ, Sch Sci, Inst Chem Phys, Xian 710049, Peoples R China.;
[2]Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China.;
[3]Peking Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Chem, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China.;
[4]Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China.;
[5]Xi An Jiao Tong Univ, Sch Sci, Inst Chem Phys, Xian 710049, Peoples R China.;
[6]Peking Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Chem, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China.;
[7]Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China.;
通讯作者:Zheng, WJ (reprint author), Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China.; Zhao, X (reprint author), Xi An Jiao Tong Univ, Sch Sci, Inst Chem Phys, Xian 710049, Peoples R China.; Gao, YQ (reprint author), Peking Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Chem, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China.
年:2016
期刊名称:PHYSICAL CHEMISTRY CHEMICAL PHYSICS影响因子和分区
卷:18
期:1
页码范围:557-565
增刊:正刊
收录情况:SCI(E)(WOS:000368755500058)  PubMed(26618327)  
所属部门:电子信息学院
语言:外文
ISSN:1463-9076
被引频次:3
人气指数:1846
浏览次数:1842
基金:Beijing National Laboratory for Molecular Sciences; National Natural Science Foundation of China (NSFC) [21301134]; Beijing National Laboratory for Molecular Sciences [2013003]; Scientific Research Program - Shanxi Provincial Education Department [2013JK0655]; Postdoctoral Science Foundation of China [2015M572545]
摘要:
We investigated (Nal)(2)(-)(H2O)(n) (n = 0-6) clusters to examine the initial sotvation process of (Nal)(2) in water, using negative ion photoelectron spectroscopy and theoretical calculations. The structures of these clusters and their neutrals were determined by comparing ab initio calculations with experimental results. It is found that bare (Nal)(2)(-) is a L-shaped structure and the corresponding neutral is a rhombus. In (Nal)(2)(-)(H2O), the water molecule prefers to interact with the midd ...More
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