The solution structures of organic carbonate solvents (ethylene carbonate (EC), propylene carbonate (PC), dimethyl carbonate (DMC), and diethyl carbonate (DEC)) as electrolyte solutions of LiPF6 were investigated with FTIR and NMR spectroscopy and DFT computational methods. Both coordinated and uncoordinated solvents are observed by IR spectroscopy, allowing the determination of solvent coordination numbers, which a range from 2 to 5. The predominant species in solution changes as a function of LiPF6 concentration. At low salt concentrations (\u3c1.2 M), the predominant species is a solvent-separated ion pair, whereas at high salt concentrations (\u3e2.0 M) the predominant species in solution is the contact ion pair. In mixed solvent system...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
The solution structures of organic carbonate solvents (ethylene carbonate (EC), propylene carbonate ...
The solution structures of organic carbonate solvents (ethylene carbonate (EC), propylene carbonate ...
The solution structures of organic carbonate solvents (ethylene carbonate (EC), propylene carbonate ...
The structure and composition of lithium ion solvation spheres of electrolyte solutions composed of ...
The structure and composition of lithium ion solvation spheres of electrolyte solutions composed of ...
FTIR and NMR spectroscopy were used to investigate the structure and composition of lithium ion solv...
© 2016 American Chemical Society. The structure and dynamics of electrolytes composed of lithium hex...
The solvation of LiPF6 by carbonate solvents (EC, DMC, and DEC) was investigated via 13C NMR chemica...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
The solution structures of organic carbonate solvents (ethylene carbonate (EC), propylene carbonate ...
The solution structures of organic carbonate solvents (ethylene carbonate (EC), propylene carbonate ...
The solution structures of organic carbonate solvents (ethylene carbonate (EC), propylene carbonate ...
The structure and composition of lithium ion solvation spheres of electrolyte solutions composed of ...
The structure and composition of lithium ion solvation spheres of electrolyte solutions composed of ...
FTIR and NMR spectroscopy were used to investigate the structure and composition of lithium ion solv...
© 2016 American Chemical Society. The structure and dynamics of electrolytes composed of lithium hex...
The solvation of LiPF6 by carbonate solvents (EC, DMC, and DEC) was investigated via 13C NMR chemica...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...
International audienceQuantum chemical calculations have been employed to investigate the solvation ...