Abstract
The reaction mechanisms for maleimide-amine and hydrolysis and condensation of silicon alkoxides were investigated by a molecular orbital method. These reactions were typical examples of the formation of a network polymer with nucleophilic addition and proton transfer. In a model reaction between maleimide and dimethylamine, the combination of Michael addition and proton relays was examined. It was clarified that the amine trimer fitted into the combination. The frontier (LUMO) orbital energies of bismaleimides correlated well with experimental rate constants of their reactions. Under neutral conditions, the hydrolysis of silicon alkoxides was examined, and the water trimer cluster was found to be a reactant for ready bond interchange. The condensation was caused by the participation of the water dimer. Two of the observed reactions involved a front-side nucleophilic attack to the silicon center with a smilar mechanism.
