1-Aza-4-boratricyclo[2.2.2.01,4]octane and 1-aza-4-borabicyclo[2.2.2]octane: stable bond-stretch isomers? an ab initio study
Abstract
Ab initio molecular orbital theory is used to demonstrate bond-stretch isomerism in the 1-aza-4-boratricyclo[2.2.2.01,4]octane–1-aza-4-borabicyclo[2.2.2]octane system; the effect of solvent and substituents on the bond-stretch equilibrium is discussed.