Fig. 1. Structural features of diazo compounds. (A) Representation of the frontier orbitals of diazomethane calculated at B3LYP/def2SVP level; (b) partial NBO charges and Wiberg bond orders at the same level; (c) reactivity trend. EWG = electron-withdrawing group, EDG = electron-donating group. ΔHD = average enthalpy of decomposition.
