Correlating structure and thermodynamics of hydrophobic-hydrophilic ion pairs in water

- The potential of mean force between halide and N(CH3)4 ions in water is determined.
- Structure/energy correlation of the ion-pair as a function of interionic distance.
- Iodine ion exhibits an affinity to a hydrophobic ion in water.
- In contrast, fluoride ion is repulsed, consistent with recent experiments.