Why metal–oxos react with dihydroanthracene and cyclohexadiene at comparable rates, despite having different C–H bond strengths. A computational study

Abstract

Although 1,4-cyclohexadiene has a C–H bond ∼3.5 kcal mol⁻¹ weaker than that of 9,10-dihydroanthracene, they react with metal–oxo oxidants at comparable rates due to favorable non-covalent interactions for the latter.