Characterization of a Multicomponent Lithium Lithiate from a Combined X-Ray Diffraction, NMR Spectroscopy, and Computational Approach
Characterization of a Multicomponent Lithium Lithiate from a Combined X-Ray Diffraction, NMR Spectroscopy, and Computational Approach
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DOI：
10.1002/anie.201406320
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发表时间：
2014-11-24
影响因子：
16.6
通讯作者：
Stalke, Dietmar
中科院分区：
文献类型：
--
作者：
Poeppler, Ann-Christin;Granitzka, Markus;Stalke, Dietmar
采用X射线衍射、核磁共振和计算方法研究了一种不寻常的锂离子化合物[Li（diglyme）（2）]-[（diglyme）Li-2（C4 H3 S）（3）]，它由三个碳负离子、两个锂阳离子、一个锂阳离子和一个锂阴离子配位的单体碱分子组成。虽然多组分锂盐是固态中存在的唯一物种，但采用溶液NMR光谱和计算方法来识别溶液中的第二物种。二聚体[（二甘醇二甲醚）Li（C4 H3 S）]（2）与锂盐以1：1的比例共存于溶液中，溶剂的极性越高。只有将这多种方法结合起来，才能提供一幅完整的画面。
An unusual lithium lithiate [Li(diglyme)(2)]-[(diglyme)Li-2(C4H3S)(3)], made up from three carbanions, two lithium cations, and a single donor base molecule in the anion and a single lithium cation, coordinated by two donor base molecules, is investigated in a combined study including X-ray diffraction, NMR spectroscopy and computational approaches in solution and the solid state. While the multicomponent lithiate is the only species present in the solid state, solution NMR spectroscopy and computational methods were employed to identify a second species in solution. The dimer [(diglyme) Li(C4H3S)](2) coexists with the lithiate in solution in a 1:1 ratio, the more the higher the polarity of the solvent is. Only the combination of this multitude of methods provides a firm picture of the whole.