Coordination Number of Li+ in Nonaqueous Electrolyte Solutions Determined by Molecular Rotational Measurements

	Coordination Number of Li+ in Nonaqueous Electrolyte Solutions Determined by Molecular Rotational Measurements
	Yuan, Kaijun 1,2; Bian, Hongtao 2; Shen, Yuneng 1; Jiang, Bo 1; Li, Jiebo 2; Zhang, Yufan 2; Chen, Hailong 2; Zheng, Junrong 2
刊名	journal of physical chemistry b
	2014-04-03
卷号	118 期号:13 页码:3689-3695
通讯作者	郑俊荣
英文摘要	the coordination number of li+ in acetonitrile solutions was determined by directly measuring the rotational times of solvent molecules bound and unbound to it. the cn stretch of the li+ bound and unbound acetonitrile molecules in the same solution has distinct vibrational frequencies (2276 cm(-1) vs 2254 cm(-1)). the frequency difference allows the rotation of each type of acetonitrile molecule to be determined by monitoring the anisotropy decay of each cn stretch vibrational excitation signal. regardless of the nature of anions and concentrations, the li+ coordination number was found to be 4-6 in the libf4 (0.2-2 m) and lipf6 (1-2 m) acetonitrile solutions. however, the dissociation constants of the salt are dependent on the nature of anions. in 1 m libf4 solution, 53% of the salt was found to dissociate into lit, which is bound by 4-6 solvent molecules. in 1 m lipf6 solution, 72% of the salt dissociates. 2d ir experiments show that the binding between li+ and acetonitrile is very strong. the lifetime of the complex is much longer than 19 ps.
学科主题	物理化学
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, physical
研究领域[WOS]	chemistry
关键词[WOS]	vibrational echo spectroscopy ; aqueous-solutions ; lithium ; ion ; solvation ; batteries ; energy ; complexes ; dynamics
收录类别	SCI
语种	英语
WOS记录号	WOS:000333948200023
公开日期	2016-05-09
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/144288]
专题	大连化学物理研究所_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.Rice Univ, Dept Chem, Houston, TX 77005 USA
推荐引用方式 GB/T 7714	Yuan, Kaijun,Bian, Hongtao,Shen, Yuneng,et al. Coordination Number of Li+ in Nonaqueous Electrolyte Solutions Determined by Molecular Rotational Measurements[J]. journal of physical chemistry b,2014,118(13):3689-3695.
APA	Yuan, Kaijun.,Bian, Hongtao.,Shen, Yuneng.,Jiang, Bo.,Li, Jiebo.,...&Zheng, Junrong.(2014).Coordination Number of Li+ in Nonaqueous Electrolyte Solutions Determined by Molecular Rotational Measurements.journal of physical chemistry b,118(13),3689-3695.
MLA	Yuan, Kaijun,et al."Coordination Number of Li+ in Nonaqueous Electrolyte Solutions Determined by Molecular Rotational Measurements".journal of physical chemistry b 118.13(2014):3689-3695.