Diacetone diperoxide, explosive

Both X-ray crystallography and electronic structure calculations using the cc-pVDZ basis set at the DFT B3LYP level have been employed to study the explosive properties of triacetone triperoxide (TATP) and diacetone diperoxide (DADP).32 The thermal decomposition pathway of TATP has been investigated by a series of calculations that identified transition states, intermediates, and the final products. Calculations predict that the explosion of TATP is not a thermochemically highly favoured event. It rather involves entropy burst, which is the result of formation of one ozone and three acetone molecules from every molecule of TATP in the solid state. 

Typical organic peroxides, which have been or may be used by terrorists are so-called homemade explosives (HMEs) triacetone triperoxide (TATP), hexameth-ylene triperoxide diamine (HMTD), methyl ethyl ketone peroxide (MEKP) and diacetone diperoxide (DADP) (Fig. 1.14). 

Peroxide-based explosives, such as TATP, diacetone diperoxide (DADP), and hexamethylene triperoxide diamine (MHTD) can be detected using HPLC-DAD at 214 nm (see Figmes 11.5 and 11.6). Successful LC-MS/MS of explosives has been reported, as has the use of ion mobility and liquid chromatography with amperometric detection (Vigneau and Machuron-Mandard 2009 Hilmi et al. 1999 Ou et al. 2009 Meng et al. 2008). 

Oxley, J.C., Smith, J.L., Luo, W., Brady, J. Determining the vapOT pressure of diacetone diperoxide (DADP) and hexamethylene triperoxide diamine (HMTD). Propellants Explosives Pyrotechnics 34,539-543 (2009)... 

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