Geometry and thermodynamic parameters of the formation of phenol homoassociates were determined by B3LYP/6-311++G(df,p) quantum-chemical method. Ionization potentials, electron affinities, gas-phase parameters of acid and base were determined. Donor-acceptor, acid-base properties of hydrogen-bonded complexes of phenol increases with the degree of their association.
фенол, ассоциаты, потенциал ионизации, сродство к электрону, газофазная кислотность, основность, Phenol, cluster, ionization potential, electron affinity, gas-phase acidity, basicity
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