It is well-known that the chemical structure of an ion has a significant influence on the dynamics of an ionic liquid incorporating it.  A question of particular interest is how the distribution of charge in an ion affects its role in dynamics.  To explore this, we perform an extensive analysis of the dynamics of a series of model ionic liquids of differing charge distribution but identical geometries and capacities for specific interactions.  The analysis includes the use of instantaneous normal modes and other techniques.  The results indicate that while certain properties of ionic liquids can be understood using low-order treatments of ionic potentials, quadrupole and higher-order electrostatic multipole moments have a significant influence on ionic behavior.  The results offer some insight to those seeking to design task-specific ionic liquids.

Analysis of the influence of ionic charge distribution on the dynamics of ionic liquids

243rd National Meeting (2012)

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