STUDIES ON THERMOLYSIS OF ASPARAGINIC ACI D BY MNDO METHOD

The molecular geometries of asparaginic acid, intermediates and the en d products were optimized by MNDO method. It has been found that the b reaking bond [GRAPHICS] in asparaginic acid was primary at the first, Then C-N bond was breaked. The end product of the decomposition is acr ylonitrile. The results are agreement with the experiment well, There is a probability of breaking C-N bond when asparaginic acid is heated to the dissociated temperature and the intermediate product of the dec omposition is [GRAPHICS] At next step, this intermediate product will lose CO2.