Preferential Solvation of an Asymmetric Redox Molecule
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- 作者：Kee Sung Han ; Nav Nidhi Rajput ; M. Vijayakumar ; Xiaoliang Wei ; Wei Wang ; Jianzhi Hu ; Kristin A. Persson ; Karl T. Mueller
- 刊名：Journal of Physical Chemistry C
- 出版年：2016
- 出版时间：December 15, 2016
- 年：2016
- 卷：120
- 期：49
- 页码：27834-27839
- 全文大小：371K
- ISSN：1932-7455
文摘
The fundamental correlations between solubility and solvation structure for the electrolyte system comprising N-(ferrocenylmethyl)-N,N-dimethyl-N-ethylammonium bistrifluoromethylsulfonimide (Fc1N112-TFSI) dissolved in a ternary carbonate solvent mixture is analyzed using combined NMR relaxation and computational methods. Probing the evolution of the solvent–solvent, ion–solvent and ion–ion interactions with an increase in solute concentration provides a molecular level understanding of the solubility limit of the Fc1N112-TFSI system. An increase in solute concentration leads to pronounced Fc1N112-TFSI contact-ion pair formation by diminishing solvent–solvent and ion–solvent type interactions. At the solubility limit, the precipitation of solute is initiated through agglomeration of contact-ion pairs due to overlapping solvation shells.