C₆₀H₄: Kinetics and Thermodynamics of Multiple Addition to C₆₀

Abstract

The same compound, 1,2,3,4-C60H4(1), is both the major kinetic product of the reaction of C60 or C60H2 with BH3 and the thermodynamically most stable isomer of C60H4. This was predicted by ab initio calculations and confirmed by experiment.