Scheme 5. Standard Gibbs energies calculated for the species involved in the C–I bond cleavage reaction with EB2− (1) and EB− (2) using the M06-2X/PCM method with 6-31G (d) basis sets for hydrogen, carbon, and oxygen and the MIDI! basis set for iodine. Free energy corrections are made at standard conditions of 1 atm and 298.15 K.
