Solvate Structures and Spectroscopic Characterization of LiTFSI Electrolytes

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• 作者：Daniel M. Seo ; Paul D. Boyle ; Roger D. Sommer ; James S. Daubert ; Oleg Borodin ; Wesley A. Henderson
• 刊名：Journal of Physical Chemistry B
• 出版年：2014
• 出版时间：November 26, 2014
• 年：2014
• 卷：118
• 期：47
• 页码：13601-13608
• 全文大小：666K
• ISSN：1520-5207

文摘

A Raman spectroscopic evaluation of numerous crystalline solvates with lithium bis(trifluoromethanesulfonyl)imide (LiTFSI or LiN(SO₂CF₃)₂) has been conducted over a wide temperature range. Four new crystalline solvate structures鈥?PHEN)₃:LiTFSI, (2,9-DMPHEN)₂:LiTFSI, (G3)₁:LiTFSI and (2,6-DMPy)_1/2:LiTFSI with phenanthroline, 2,9-dimethyl[1,10]phenanthroline, triglyme, and 2,6-dimethylpyridine, respectively鈥攈ave been determined to aid in this study. The spectroscopic data have been correlated with varying modes of TFSI^{鈥?/sup>路路路Li+ cation coordination within the solvate structures to create an electrolyte characterization tool to facilitate the Raman band deconvolution assignments for the determination of ionic association interactions within electrolytes containing LiTFSI. It is found, however, that significant difficulties may be encountered when identifying the distributions of specific forms of TFSI鈥?/sup> anion coordination present in liquid electrolyte mixtures due to the wide range of TFSI鈥?/sup>路路路Li+ cation interactions possible and the overlap of the corresponding spectroscopic data signatures.}