@article{31658, author = {Kee Sung Han and Nav Nidhi Rajput and M Vijayakumar and Xiaoliang Wei and Wei Wang and Jianzhi Hu and Kristin A Persson and Karl T Mueller}, title = {Preferential Solvation of an Asymmetric Redox Molecule}, abstract = {

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{\textendash}solvent, ion{\textendash}solvent and ion{\textendash}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{\textendash}solvent and ion{\textendash}solvent type interactions. At the solubility limit, the precipitation of solute is initiated through agglomeration of contact-ion pairs due to overlapping solvation shells.

}, year = {2016}, booktitle = {The Journal of Physical Chemistry C}, journal = {The Journal of Physical Chemistry C}, series = {The Journal of Physical Chemistry C}, volume = {120}, pages = {27834 - 27839}, month = {11/2016}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.6b09114}, language = {eng}, }