Akademik Veri Yönetim Sistemi
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, cilt.55, sa.11, ss.1334-1341, 2016 (SCI-Expanded)
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 isomeridisoelectronic binary (ADN+element) composites. Some quantum chemical properties of those binary and ternary composite systems are also presented.