Some cycloadditions of dienes with C60F18: structures and relative stabilities derived from theoretical calculation

Abstract

The energies of various isomeric cycloaddition products of C₆₀F₁₈ with anthracene, buta-1,3-diene and benzene are calculated using a semi-empirical method. The energies are variously correlated with each other and with the Coulson free valence index and it is argued that the dominant effect that governs position of attack is electronic rather than steric in nature.