DICP OpenIR
Hydration of potassium iodide dimer studied by photoelectron spectroscopy and ab initio calculations
Li, Ren-Zhong1,2; Zeng, Zhen3; Hou, Gao-Lei3; Xu, Hong-Guang3; Zhao, Xiang1; Gao, Yi Qin4; Zheng, Wei-Jun3
刊名JOURNAL OF CHEMICAL PHYSICS
2016-11-14
DOI10.1063/1.4967168
145期:18
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
关键词[WOS]ALKALI-METAL IONS ; X-RAY-DIFFRACTION ; HOFMEISTER SERIES ; GAS-PHASE ; BIOLOGICAL STRUCTURE ; RAMAN-SPECTROSCOPY ; AQUEOUS POTASSIUM ; MP2 ENERGY ; WATER ; NA
英文摘要We measured the photoelectron spectra of (KI)(2)(-) (H2O)(n) (n = 0-3) and conducted ab initio calculations on (KI)(2)(-) (H2O)(n) anions and their corresponding neutrals up to n = 6. Two types of spectral features are observed in the experimental spectra of (KI)(2)(-) (H2O) and (KI)(2)(-) (H2O)(2), indicating that two types of isomers coexist, in which the high EBE feature corresponds to the hydrated chain-like (KI)(2)(-) while the low EBE feature corresponds to the hydrated pyramidal (KI)(2)(-). In (KI)(2)(-) (H2O)(3), the (KI)(2)(-) unit prefers a pyramidal configuration, and one of the K-I distances is elongated significantly, thus a K atom is firstly separated out from the (KI)(2)(-) unit. As for the neutrals, the bare (KI)(2) has a rhombus structure, and the structures of (KI)(2)(H2O) n are evolved from the rhombus (KI)(2) unit by the addition of H2O. When the number of water molecules reaches 4, the K-I distances have significant increment and one of the I atoms prefers to leave the (KI)(2) unit. The comparison of (KI)(2)(H2O)(n) and (NaI)(2)(H2O)(n) indicates that it is slightly more difficult to pry apart (KI)(2) than (NaI)(2) via hydration, which is in agreement with the lower solubility of KI compared to that of NaI. Published by AIP Publishing.
语种英语
WOS记录号WOS:000388616100025
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/150441
专题中国科学院大连化学物理研究所
作者单位1.Xi An Jiao Tong Univ, Inst Chem Phys, Sch Sci, Xian 710049, Peoples R China
2.Xian Polytech Univ, Coll Elect & Informat, Xian 710048, Peoples R China
3.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China
4.Peking Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Chem, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China
推荐引用方式
GB/T 7714
Li, Ren-Zhong,Zeng, Zhen,Hou, Gao-Lei,et al. Hydration of potassium iodide dimer studied by photoelectron spectroscopy and ab initio calculations[J]. JOURNAL OF CHEMICAL PHYSICS,2016,145(18).
APA Li, Ren-Zhong.,Zeng, Zhen.,Hou, Gao-Lei.,Xu, Hong-Guang.,Zhao, Xiang.,...&Zheng, Wei-Jun.(2016).Hydration of potassium iodide dimer studied by photoelectron spectroscopy and ab initio calculations.JOURNAL OF CHEMICAL PHYSICS,145(18).
MLA Li, Ren-Zhong,et al."Hydration of potassium iodide dimer studied by photoelectron spectroscopy and ab initio calculations".JOURNAL OF CHEMICAL PHYSICS 145.18(2016).
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Li, Ren-Zhong]的文章
[Zeng, Zhen]的文章
[Hou, Gao-Lei]的文章
百度学术
百度学术中相似的文章
[Li, Ren-Zhong]的文章
[Zeng, Zhen]的文章
[Hou, Gao-Lei]的文章
必应学术
必应学术中相似的文章
[Li, Ren-Zhong]的文章
[Zeng, Zhen]的文章
[Hou, Gao-Lei]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。