Collect. Czech. Chem. Commun. 1999, 64, 1529-1550

Cross-Interaction Constants. A Mechanistic Tool

Ikchoon Lee* and Hai Whang Lee

Department of Chemistry, Inha University, Inchon 402-751, Korea


The cross-interaction constant, ρij, is a second derivative parameter representing a change in the intensity of interaction between the two reacting partners (or fragments) i and j in a reaction. It can be either an activation or a reaction parameter. The sign and magnitude of ρij have important mechanistic significances and are useful as a tool for the studies of organic reaction mechanism. We have presented several more important applications of the cross-interaction constants. A review with 42 references.

Keywords: Cross-interaction constants; Transition-state structures; Mechanistic criteria; Reactivity-selectivity principle; Reaction kinetics; Nucleophilic substitutions; Review.