MATRIX ISOLATION FTIR AND AB INITIO STUDIES ON THE CONFORMATIONS OF DIMETHYL AND DIETHYL CARBONATE AND THEIR COMPLEXES WITH WATER

摘要

Dimethyl carbonate (DMC) and diethyl carbonate (DEC) have been studied for their conformations using matrix isolation infrared spectroscopy and ab initio computations. In addition to the above studies, the complexes of the two compounds with water have also been studied. The experiments were corroborated with ab initio calculations at the B3LYP/6 - 31 + +G * * level. The organic carbonates were trapped in argon and nitrogen matrixes using an effusive source maintained at two different temperatures; i.e. room temperature and 170 deg C. In addition the matrix was also deposited using a supersonic jet source.