%0 Journal Article
%A Kee Sung Han
%A Nav Nidhi Rajput
%A M Vijayakumar
%A Xiaoliang Wei
%A Wei Wang
%A Jianzhi Hu
%A Kristin A Persson
%A Karl T Mueller
%B The Journal of Physical Chemistry C
%D 2016
%G eng
%N 49
%P 27834 - 27839
%R 10.1021/acs.jpcc.6b09114
%T Preferential Solvation of an Asymmetric Redox Molecule
%V 120
%8 11/2016
%! J. Phys. Chem. C
%X <p><span>The fundamental correlations between solubility and solvation structure for the electrolyte system comprising&nbsp;</span><em>N</em><span>-(ferrocenylmethyl)-</span><em>N</em><span>,</span><em>N</em><span>-dimethyl-</span><em>N</em><span>-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.</span></p>