KINETICS AND MECHANISM OF THE THERMAL DECOMPOSITION REACTION OF 3,6-DIPHENYL- 1,2,3,5-TETROXANE IN SOLUTION

ANDREA N. PILA, MARIELA I. PROFETA, JORGE M. ROMERO , NELLY L. JORGE,, AND E. A. CASTRO

International Journal of Chemical Modeling

NOVA

Lugar: Nueva York; Año: 2013 vol. 4 p. 405 - 411

1941-3955

The thermal decomposition reaction of 3,6-diphenyl-1,2,4,5-tetroxane (DFT) in acetonitrile solutions in the initial and temperature range of 1.0 x 10-3 mol L-1 and 130-166°C, respectively, follows a first order kinetic law up to at least 60% DFT conversion. Under the experimental condition the activation parameters of the initial step of the reaction in acetonitrile was H# = 29,5 ±0,6 kcal mol -1; S# = -1,2 ±1,0 cal mol-1 K-1. The benzaldehyde and benzoic acid the organic products, support a stepwise reaction mechanism with the homolytic rupture of one of its peroxidic bond