Quantum-chemical study of spectral and luminescent properties and photolysis of phenol and its complexes with water

The spectral and luminescent properties of phenol and the photoinduced O-H bond cleavage reaction, depending on complexation and excitation energy, we re considered using the INDO method. It was shown that the formation of H-b onded complexes with wafer does not exert a noticeable effect on the spectr al-luminescent properties of phenol. A decrease in the fluorescence quantum yield with increasing excitation energy is associated with the enhancement of the photoreaction rather than a change in the dynamics of intramolecula r photophysical processes. The photolysis of phenol proceeds via the predis sociation scheme. Complexation results in the enhancement of population of photodissociative singlet and triplet sates.