Zusammenfassung
Structural knowledge on ubiquitous lithium salts in solution and in the crystalline state is of paramount importance for our understanding of many chemical reactions and of the electrolyte behaviour in lithium ion batteries. A bulky bidentate Si-based ligand (6) was used to create simplified model systems suitable for correlating structures of LiCl and LiPF6 complexes in the solid-state and in ...
Zusammenfassung
Structural knowledge on ubiquitous lithium salts in solution and in the crystalline state is of paramount importance for our understanding of many chemical reactions and of the electrolyte behaviour in lithium ion batteries. A bulky bidentate Si-based ligand (6) was used to create simplified model systems suitable for correlating structures of LiCl and LiPF6 complexes in the solid-state and in solution by combining various experimental, spectroscopic, and computational methods. Solution studies were performed using H-1 DOSY, multinuclear variable temperature NMR spectroscopy, and quantum chemical calculations. [Ph2Si(2-CH2Py)(2)center dot LiCl](2) (3) dissociates into a monomeric species (9) in THF. For [Ph2Si(2-CH2Py)(2)center dot LiPF6](2) (11), low temperature NMR studies revealed an unprecedented chiral coordination mode (12) in non-coordinating solvents.
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