Solvation structure of Li+ in concentrated LiPF6-propylene carbonate solutions

被引：137
作者：
Kameda, Yasuo
Umebayashi, Yasuhiro [1 ]
Takeuchi, Munetaka
Wahab, Mohanmmad Abdul
Fukuda, Shuhei
Ishiguro, Shin-ichi
Sasaki, Motoya
Amo, Yuko
Usuki, Takeshi
机构：
[1] Kyushu Univ, Fac Sci, Dept Chem, Higashi Ku, Fukuoka 8128581, Japan
[2] Yamagata Univ, Fac Sci, Dept Mat & Biol Chem, Yamagata 9908560, Japan
[3] Fujitsu Ltd, Mihama Ku, Chiba 2618588, Japan
来源：
JOURNAL OF PHYSICAL CHEMISTRY B | 2007年 / 111卷 / 22期
关键词：
D O I：
10.1021/jp072597b
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Time-of-flight neutron diffraction measurements were carried out for Li-6/Li-7 isotopically substituted 10 mol % LiPF6-propylene carbonate-d(6) (PC-d(6)) solutions, in order to obtain structural information on the first solvation shell of Li+. Structural parameters concerning the nearest neighbor Li+center dot center dot center dot PC and Li+center dot center dot center dot PF6- interactions were determined through least-squares fitting analysis of the observed difference function, Delta(Li)(Q). It has been revealed that the first solvation shell of Li+ consists in average of 4.5(1) PC molecules with an intermolecular Li+center dot center dot center dot O(PC) distance of 2.04(1) angstrom. The angle Li+center dot center dot center dot O=C bond angle has been determined to be 138(2)degrees.
引用
收藏
页码：6104 / 6109
页数：6
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