In order to clarify the nature of the intramolecular hydrogen bond between the hydroxyl group and the π-electron system in 2-hydroxybiphenyl, MO calculation based on the CNDO/2 MO method has been carried out. The total electronic energy of the molecule has been divided into one- and two-atomic terms. It was found that the resonance term mainly contributes to the intramolecular hydrogen bond formation. Contribution of other terms is discussed.
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Ioki et al. (1978) studied this question.
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