Effects of solvation on the pairing of electrons in a series of simple molecules and in the Menshutkin reaction

An analysis of the effects of solvation on the pairing of electrons in molecules in a series of the molecules including neutral, anionic, and cationic species and in the Menshutkin reaction between ammonia and methyl chloride is presented here. This comparative analysis has been carried out in the framework of the atoms in molecules theory and the PCM method is used to model the effects of solvation on the solute wave function.