Alain Argile

Reactivity and selectivity control by reactants and products. A general relationship between the selectivity and the position of the transition state.

Abstract Although the reactivity-selectivity principle and the frontier molecular orbital theory lead to opposed reactivity-selectivity relationships, they lead to an identical transition state position-selectivity relationship. The transition state position is generally reactant- and product-dependent. The RSP which neglects reactant effects and the FMO which neglects product effects can be considered as the two limits of the general rule.