In the binding of ions by neutral molecules, the solvation state of the cation, ligand and complex must be considered in assessing the overall free energy of complexation. In three different examples the role of ligand desolvation, entropies of complexation, weak C-H...O interactions and excited state solvation is highlighted and the extent to which computational methods could in future be applied will be aired.
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Parker, D. (1994). Solvation and Complexation: From Cation Complexation to Excited-State Stabilisation. In: Wipff, G. (eds) Computational Approaches in Supramolecular Chemistry. NATO ASI Series, vol 426. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-1058-7_16
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