An insight into coordination ability of dicyanoimidazolato anions toward lithium in presence of acetonitrile. Crystal structures of novel lithium battery electrolyte salts

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• 作者：Maciej Dranka ; ^{mdranka@ch.pw.edu.pl} ; Leszek Niedzicki ; Marta Kasprzyk ; Marek Marcinek ; W?adys?aw Wieczorek ; Janusz Zachara
• 关键词：Lithium ; N ligands ; Lithium-ion batteries ; Imidazoles ; Crystal structures
• 刊名：Polyhedron
• 出版年：2013
• 出版时间：4 March, 2013
• 年：2013
• 卷：51
• 期：Complete
• 页码：111-116
• 全文大小：1288 K

文摘

New generation of imidazole-derived salts was characterized by single-crystal X-ray diffraction experiments for the first time. Herein, we present crystal structures of lithium salts containing original 4,5-dicyanoimidazolato anions substituted with trifluoromethyl, pentafluoroethyl and heptafluoropropyl groups. Studied compounds crystallize as acetonitrile-solvated dimers with four-coordinate lithium cations. Structures of crystalline materials were examined with regard to the fine properties of electrolyte providing valuable information about coordination ability of substituted 4,5-dicyanoimidazolato anions. Anions act as ditopic N donor ligands containing additional weak fluorine donor-centers. Donor nitrogen atoms of imidazole and cyano groups, show slightly lower basicity than electroneutral acetonitrile solvent molecules coordinated to lithium. Presence of bulky substituents does not alter crystal structure and close-packed arrangement is observed.