Mechanism of (OH)-O-center dot formation in the thermal decomposition of (Si-O)(2)Si(C2H5)(O-O-center dot) radicals

ESR and IR spectroscopy and quantum chemical calculations are used to obtai n the mechanistic data on the reaction (=Si-O)(2)Si(C2H5)(O-O-.) --> [GRAPHICS] The IR bands are assigned CH, by simulating the vibrational spectra of mode l low-molecular compounds. Quantum chemical calculations provided the data on the shapes of potential energy surface for the systems under study and t ransition states. These data are used to interpret the experimental data. T he title reaction occurs much more readily in the case of organosilicon per oxy radicals than in the case of their hydrocarbon analogs. Surface silanon e groups of silica react with ethylene molecules to form the siloxacyclobut ane group.