Rearrangement energies for radicals of azido nitroaromatic compounds

Аннотация

Dissociation energies of C–N₃ bonds have been determined on the basis of data on the enthalpies of formation for a series of azido nitroaromatic compounds and the enthalpies of formation of radicals. Using fundamental relationships of chemical physics, a procedure has been suggested to calculate the energy of rearrangement of molecule fragments into radicals on the basis of special properties of rearrangement energy and the sums of average thermochemical energies for bonds comprising radical fragment in molecule. This calculation procedure provided a possibility to determine the energy of the N₃ moiety transformation into N₃ radical and the rearrangement energies of nitroaromatic radicals.