To assess this aspect more quantitatively, the ωB97XD/Def2-SVPD density functional method, with solvation energies estimated using a continuum method set for dichloromethane, has been applied to the reaction shown in Scheme 1 (with NMe4 replacing NBu4). This suggests that the relative free energies ΔG298 of 1a, 11 and the assemblage labelled "C2" (C2 + I-Ph + Me3SiF + Me4N + BF4 -) are 0.0, 0.1 and +68.2 kcal/mol respectively. The computed energetics of C2 itself were calibrated against the two consecutive bond dissociation reactions