title: Kinetic and equilibrium lithium acidities of substituted toluenes: semitheoretical Brönsted correlations.
abstract: Semitheoretical Brönsted correlations are compared between previously measured experimental rates of hydrogen isotope exchange of substituted toluenes labeled in the α-position and relative equilibrium acidities computed at several theory levels. The Brönsted correlations show less scatter at the Hartree-Fock level than at higher theory levels. This effect is rationalized on the basis of enhanced steric effects in the more constrained structures of the higher theory levels.
authors.affiliation: Department of Chemistry, University of California-Berkeley, Berkeley, California 94720-1460, United States. astreit@berkeley.edu
authors.forename: Andrew
authors.initials: A
authors.lastname: Streitwieser
authors.forename: Yew Hung
authors.initials: YH
authors.lastname: Leong
authors.forename: Eric C
authors.initials: EC
authors.lastname: Wu
authors.forename: Xingyue
authors.initials: X
authors.lastname: Zhang