Interaction of ADN with some group II and III elements

Abstract

Ammonium dinitramide (ADN) has been studied quantum chemically at the level of UB3LYP/6-31++G(d,p) in order to get some information about its behavior in the presence of some group II and III elements (viz., Be, Mg, B and Al). The results indicate that Be and Mg are being oxidized by AND, but B and Al are not. In the case of Be and Mg, the reduction of ADN is accompanied by the removal of NO₂ moiety which has negative total charge. On the other hand, the interaction pattern of these elements with dinitramic acid (HDN) in the presence of ammonia (HDN+NH₃+element, ternary composites) is different than the isomeric/isoelectronic binary (ADN+element) composites. Some quantum chemical properties of those binary and ternary composite systems are also presented.