Solvent effects on chemical exchange in a push-pull ethylene as studied by NMR and electronic structure calculations.

NMR measurements of chemical exchange in a push-pull ethylene, dissolved in a number of different solvents, are presented. These are complemented by high-level electronic structure calculations, using both gas-phase conditions and those which simulate solvents. The results show that it is essential to include entropy effects in order to understand the observed trends.