2016年5月
Local structure of Li+ in concentrated LiPF6-dimethyl carbonate solutions
JOURNAL OF MOLECULAR LIQUIDS
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- 巻
- 217
- 号
- 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
- ID情報
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- DOI : 10.1016/j.molliq.2015.07.004
- ISSN : 0167-7322
- eISSN : 1873-3166
- Web of Science ID : WOS:000375809000004