Abstract
Diacetone diperoxide (DADP) is one of the sensitive and powerful organic peroxide explosives like its trimeric analogue TATP. Presently, some ionic forms of it have been investigated within the limitations of density functional theory at the level of UB3LYP/6-311++G(d,p). Various properties (including structural, electronic, spectral and quantum chemical) have been obtained and discussed. The studied mono and dianions having different multiplicity states have been found to be stable but monocation form decomposed.
Highlights
Triacetone triperoxide (TATP), diacetone diperoxide (DADP) and hexamethylene triperoxide diamine (HMTD) are sensitive and powerful organic peroxide explosives and have been used from time to time by terrorists in the past
The most prominent example is acetone peroxide which was synthesized for the first time by the German chemist Richard Wolffenstein in 1895 [1]
Some detailed investigations concerning the composition of the product were performed later and it was found that the main fraction is a trimeric molecule
Summary
Triacetone triperoxide (TATP), diacetone diperoxide (DADP) and hexamethylene triperoxide diamine (HMTD) are sensitive and powerful organic peroxide explosives and have been used from time to time by terrorists in the past. They are quite attractive to terrorists because of the syntheses are straightforward, which require only a few obtainable ingredients. Some detailed investigations concerning the composition of the product were performed later and it was found that the main fraction is a trimeric molecule (triacetone tri peroxide, TATP, 3,3,6,6,9,9-hexamethyl-1,2,4,5,7,8-hexoxonane). The ratio of the two possible products are formed depends on the reaction conditions (mostly the concentration of the acid used) employed during the reaction. Under the catalysis of tin (IV), a tetrameric form can be isolated [3]
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