Kinetics of synthesis of TADF by hydrogenolysis debenzylation of TADB

The reaction kinetics of synthesis of tetraacetyldiformylhexaazaisowurtzitane (TADF) by hydrogenolysis debenzylation of tetraacetyldibenzylhexaazaisowurtzitane (TADB) has been studied over Pd(OH)₂/C catalyst in formic acid. The experiment was investigated in an atmosphere of hydrogen. The effects of both internal and external diffusions were eliminated by stirring adequately. The effects of catalyst and solvent were eliminated by the experiments without adding substrate. The changes of the absorption amount of hydrogen with reaction time were measured. The absorption amount of hydrogen was used to stand for the reaction extent. Kinetics calculations of the experimental data at various temperatures were carried out, according to the integrate reaction rate equation. Experimental results indicate that the reaction is the first-order with respect to TADB under the experimental conditions. The apparent activation energy (E_a) of the reaction is 50.41 kJ/mol and preexponential factor (A) 4.5326×106 min ^-1. It showed that the reaction of hydrogenolysis debenzylation of tetraacetyldibenzylhexaazaisowurtzitane in formic acid can undergo easily.