Quantum-chemical study of the effect of chlorine substitution on spectral and luminescent properties and photolysis of phenol and its complexes with water

The effect of chlorine substitution on the spectral and luminescent propert ies and photolysis of phenol and its 1 : 1, 1 : 2, and 1 : 3 complexes with water was studied by quantum chemistry methods. The chlorine substitution In the para position of phenol was found to decrease the fluorescence quant um yield and to make it dependent on excitation energy in the absence of ph ototransformations. The nature of photodissociative states and a mechanism for the photocleavage of O-H and C-Cl bonds in p-chlorophenol were determin ed.