Relationships between dissociation energies and electrostatic potentials of C-NO2 bonds: Applications to impact sensitivities

New data for nitroalkanes support earlier results for nitroheterocycles indicating that C-NO2 dissociation energies are related to the computed electrostatic potential maxima on the molecular surfaces above these bond regions. This presumably explains the well-established involvement of the electrostatic potential in impact sensitivity correlations; a second factor, for unsaturated systems, is the internal charge separation in the molecule.