Thermochemistry of cyclic acetone peroxides
Abstract
Old data on DADP and TATP enthalpies of formation have been revised. Combining Gaussian-4 (G4) theory with an isodesmic reaction scheme allowed calculated enthalpies of formation of TATP and DADP. Oxygen bomb calorimetry measurements allowed experimental enthalpies of formation of the peroxides. Both experimental and calculated values show a satisfactory agreement between each other. The newly obtained enthalpies reasonably account for the observed derivative parameters: heats of decomposition, combustion, and explosion.
- Publication:
-
Thermochimica Acta
- Pub Date:
- June 2014
- DOI:
- Bibcode:
- 2014TcAc..585...10S
- Keywords:
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- Diacetonediperoxide (DADP);
- Triacetonetriperoxide (TATP);
- Enthalpy of formation