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Articles you may be interested inThe soft xray photochemistry of physisorbed SiF4. I. Reactions of the molecular species through desorption and dissociation Photochemistry of toluene vapor at 193 nm. Direct measurements of formation of hot toluene and the dissociation rate to benzyl radical J. Chem. Phys. 82, 5285 (1985); 10.1063/1.448603The photochemistry and infrared spectrum of the isopropyl radicalThe dissociation of acetaldehyde to radical products, CH 3 + HCO and H + CH 3 CO, and to the molecular limit of CH 4 + CO has been investigated by ab initio SCF calculations. Effects of zero point energy corrections and of electron correlation on energy differences have also been considered. The computed TI origin of acetaldehyde is in good agreement with recent experimental determinations. On the TI surface, CH 3 CHO faces activation barriers of 12-15 kcal mol-l for dissociation into radicals. The existence of and the quantitative determination of the barrier heights have been accurately computed for the first time. Vibrational excitation of TI acetaldehyde formed with energy equal to that of its spectroscopic origin is anticipated to play an important role in acetaldehyde photochemistry as has been inferred experimentally. The barrier to the unimolecular dissociation to molecular products on the So surface is slightly lower than the TI radical barriers. If hot ground state acetaldehyde can be formed with energies of -85 kcal mol-I by some process then the molecular dissociation channel should also be accessible.