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Phenol: A Succinct Essay About Its Bonding Ability in Three Examples

Kryachko E., Nguyen M.T.

Polish Journal of Chemistry

2002

Vol. 76 / nr 9

1233-1242

The present essay represents an effort to focus on some aspects of the bonding abilities of phenol throughout a theoretical study of the three potential energy surfaces of the interaction of phenol with the HCN, HOCN, and HF (including HCl) molecules. The studied surfaces clearly demonstrate the existence of the alternative bonding of phenol via its _ cloud, largerly localized in the vicinity of the para carbon atom, leading to the formation of metastable _ hydrogen-bonded complexes with sufficiently large lifetimes comparable with experimental timescales.