中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
题名: Microsolvation of LiI and CsI in Water: Anion Photoelectron Spectroscopy and ab initio Calculations
作者: Li, Ren-Zhong1;  Liu, Cheng-Wen2;  Gao, Yi Qin2;  Jiang, Hong2;  Xu, Hong-Guang1;  Zheng, Wei-Jun1
刊名: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
发表日期: 2013-04-02
DOI: 10.1021/ja4006942
卷: 135, 期:13, 页:5190-5199
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary
研究领域[WOS]: Chemistry
英文摘要: In order to understand the microsolvation of LiI and CsI in water and provide information about the dependence of solvation processes on different ions, we investigated the LiI(H2O)(n)(-) and CsI(H2O)(n)(-) (n = 0-6) clusters using photoelectron spectroscopy. The structures of these clusters and their corresponding neutrals were investigated with ab initio calculations and confirmed by comparing with the photoelectron spectroscopy experiments. Our studies show that the structural evolutions of LiI(H2O)(n) and CsI(H2O)(n) clusters are very different. The Li-I distance in LiI(H2O)(n)(-) increases abruptly at n = 3, whereas the abrupt elongation of the Li-I distance in neutral LiI(H2O)(n) occurs at n = 5. In contrast to the LiI(H2O)(n)(-) clusters, the Cs-I distance in CsI(H2O)(n)(-) increases significantly at n = 3, reaches a maximum at n = 4, and decreases again as n increases further. There is no abrupt change of the Cs-I distance in neutral CsI(H2O)(n) as n increases from 0 to 6. Water molecules interact strongly with the Li ion; consequently, water molecule(s) can insert within the Li+-I- ion pair. In contrast, five or six water molecules are not enough to induce obvious separation of the Cs+-I- ion pair since the Cs-water interaction is relatively weak compared to the Li-water interaction. Our work has shown that the structural variation and microsolvation in MI(H2O)(n) clusters are determined by the delicate balance between ion-ion, ion-water, and water-water interactions, which may have significant implications for the general understanding of salt effects in water solution.
关键词[WOS]: NAI(H2O)(N) PHOTODISSOCIATION DYNAMICS ;  CHLORIDE ION-PAIR ;  SODIUM-CHLORIDE ;  ALKALI-HALIDES ;  DISSOLVING MECHANISM ;  ELECTRON-AFFINITIES ;  INFRARED-SPECTRA ;  SEA-SALT ;  CLUSTERS ;  HYDRATION
语种: 英语
WOS记录号: WOS:000317259300050
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/137968
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item:

There are no files associated with this item.


作者单位: 1.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
2.Peking Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Chem, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China

Recommended Citation:
Li, Ren-Zhong,Liu, Cheng-Wen,Gao, Yi Qin,et al. Microsolvation of LiI and CsI in Water: Anion Photoelectron Spectroscopy and ab initio Calculations[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2013,135(13):5190-5199.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Li, Ren-Zhong]'s Articles
 [Liu, Cheng-Wen]'s Articles
 [Gao, Yi Qin]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Li, Ren-Zhong]‘s Articles
 [Liu, Cheng-Wen]‘s Articles
 [Gao, Yi Qin]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace