P. Politzer et Js. Murray, RELATIONSHIPS BETWEEN DISSOCIATION-ENERGIES AND ELECTROSTATIC POTENTIALS OF C-NO2 BONDS - APPLICATIONS TO IMPACT SENSITIVITIES, Journal of molecular structure, 376, 1996, pp. 419-424
New data for nitroalkanes support earlier results for nitroheterocycle
s indicating that C-NO2 dissociation energies are related to the compu
ted electrostatic potential maxima on the molecular surfaces above the
se bond regions. This presumably explains the well-established involve
ment of the electrostatic potential in impact sensitivity correlations
; a second factor, for unsaturated systems, is the internal charge sep
aration in the molecule.