Electrostatic Interaction and Reaction Behavior of a 1, 2,4‐Triazole Mixture with Dinitrobenzene

Abstract

Abstract. The electrostatic interactions between gas generating agent and organic electron withdrawing additives were studied to understand how the interaction affects the reactions of their thermal behavior. To explore the electronic interaction and its effect, the thermal behavior of a mixture of dinitrobenzene isomers [p-dinitrobenzene (pDNB) and m-dinitrobenzene (mDNB)] and 1,2,4-triazole (TA) was analyzed. Density functional calculations and electron density analysis proved that both pDNB and mDNB in a 1:1 ratio withdraw electrons from TA. The analysis of pyrolysis behavior showed that TA and dinitrobenzene