Hünenberger P., Reif M. Single-Ion Solvation: Experimental and Theoretical Approaches to Elusive Thermodynamic Quantities Computational Nanoscience (RSC Theoretical and Computational Chemistry Series No. 3)

Royal Society of Chemistry, 2011. — 689 p. — (RSC Theoretical and Computational Chemistry Series No. 3). — ISBN: 9781847551870.Ions are fascinating chemical species. They are ubiquitous in nature and play a fundamental role in many essential ecological, biochemical, physiological and technological processes. Under the conditions of pressure and temperature prevailing on earth, ions would probably not play such an important role if their presence was not associated with that of large amounts of water. In the absence of water and at room temperature and ambient pressure, the long-ranged and extremely strong Coulombic interactions existing between oppositely-charged ions promote their aggregation into solid salts (exceptionally ionic liquids). The magnitude of these interactions is such that gas-phase ions are essentially non-existing species at equilibrium. Yet, in polar solvents (prominently water), dielectric screening of these direct Coulombic interactions by the dipolar solvent molecules represents an almost equally strong opposing force that permits, in synergy with entropic effects, the existence ofolvated ions as dissociated entities. The properties of ions in solution crucially depend on the nature and magnitude of these solvation forces, and their experimental and theoretical characterization is thus an essential step towards the understanding of ionic properties.
RSC Theoretical and Computational Chemistry Series. Titles in the Series:
Knowledge-based Expert Systems in Chemistry: Not Counting on Computers
Non-Covalent Interactions: Theory and Experiment
Single-Ion Solvation: Experimental and Theoretical Approaches to Elusive Thermodynamic Quantities
Computational Nanoscience
Computational Quantum Chemistry: Molecular Structure and Properties in Silico
Reaction Rate Constant Computations: Theories and Applications
Theory of Molecular CollisionsFundamental experimental problems
Fundamental theoretical problems
Concepts and definitions
Experimental determination
Theoretical determination