THE REACTION OF CATIONS WITH ANIONS IN SOLUTION [chapter]

Calvin D. Ritchie
1979 Ions and Ion Pairs and their Role in Chemical Reactions  
Some general concepts involved in theories of solvent effects on ionic reactions in solution are discussed and some fallaciesin extant theories are pointed out. The initial results of an exact treatment of a simplistic model for solvent effects on cation-anion combinations are presented. The model system consists of two charges and eight finite dipoles interacting through coulombic forces and [l/r]**12 repulsions. Local minima in the potential energy surface of the system are found which
more » ... found which correspond to "solvent-separated" ion pairs and "intimate" ion pairs, and reaction paths and saddle points connecting the species have been found.
doi:10.1016/b978-0-08-022355-1.50015-9 fatcat:mdgn3y5y7jctrlv3cqu2de5gie