Preferential Solvation of an Asymmetric Redox Molecule

被引：22

作者：

Han, Kee Sung ^{[1
,3
]}

Rajput, Nav Nidhi ^{[2
,3
]}

Vijayakumar, M. ^{[1
,3
]}

Wei, Xiaoliang ^{[1
,3
]}

Wang, Wei ^{[1
]}

Hu, Jianzhi ^{[1
,3
]}

Persson, Kristin A. ^{[2
,3
,4
]}

Mueller, Karl T. ^{[1
,3
]}

机构：

[1] Pacific Northwest Natl Lab, Richland, WA 99352 USA

[2] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA

[3] Joint Ctr Energy Storage Res, Lemont, IL 60439 USA

[4] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2016年 / 120卷 / 49期

关键词：

ION-PAIR FORMATION; DYNAMICS; NUCLEATION; RELAXATION; SIMULATION; CARBONATE; SOLVENTS; LIQUIDS;

D O I：

10.1021/acs.jpcc.6b09114

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070305 [高分子化学与物理];

摘要：

The fundamental correlations between solubility and solvation structure for the electrolyte system comprising N-(ferrocenylmethyl)-N,N-dimethyl-N-ethylammonium bistri-fluoromethylsulfonimide (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.

引用

页码：27834 / 27839

页数：6

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