Electronic Charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of some Nitramines

摘要

Electronic charges q at nitrogen atoms of 15 nitramines were calculated by means of semi-empirical AM1 method. The relationships have been confirmed between initiation characteristics of the nitramines and q-values for primarily split off nitro groups. These relationships directly specify the most reactive nitro groups of corresponding molecules in their initiation and detonation.