Preferential Solvation of an Asymmetric Redox Molecule

Date Published
11/2016
Publication Type
Journal Article
Authors
DOI
10.1021/acs.jpcc.6b09114
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–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.

Journal
The Journal of Physical Chemistry C
Volume
120
Year of Publication
2016
Issue
49
Pagination
27834 - 27839
ISSN Number
1932-7447
Short Title
J. Phys. Chem. C
Refereed Designation
Refereed
Organizations
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