論文

査読有り
2016年5月

Local structure of Li+ in concentrated LiPF6-dimethyl carbonate solutions

JOURNAL OF MOLECULAR LIQUIDS
  • Yasuo Kameda
  • ,
  • Soshi Saito
  • ,
  • Yasuhiro Umebayashi
  • ,
  • Kenta Fujii
  • ,
  • Yuko Amo
  • ,
  • Takeshi Usuki

217
開始ページ
17
終了ページ
22
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1016/j.molliq.2015.07.004
出版者・発行元
ELSEVIER SCIENCE BV

Neutron diffraction measurements have been carried out at 25 degrees C for 9.6 mol%*LiPF6-deutrerated dimethyl carbonate (DMC-d(6)) solutions in which the isotopic ratio of Li-6/Li-7 was changed. Local structure of Li+ in the solution was derived from the least squares fitting analysis of observed difference function, Delta(Li)(Q). It was revealed that Li+ is surrounded by ca. 3 DMC molecules and ca. 1 PF6- with intermolecular distances of r(Li+center dot center dot center dot O(DMC)) = 2.08 +/- 0.02 angstrom and r(Li+center dot center dot center dot F(PF6-)) = 2.03 +/- 0.06 angstrom, respectively. Raman experimental study and DFT calculations agree well with neutron structure analysis. (C) 2015 Elsevier B.V. All rights reserved.

リンク情報
DOI
https://doi.org/10.1016/j.molliq.2015.07.004
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000375809000004&DestApp=WOS_CPL
ID情報
  • DOI : 10.1016/j.molliq.2015.07.004
  • ISSN : 0167-7322
  • eISSN : 1873-3166
  • Web of Science ID : WOS:000375809000004

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