SCHEDULED MAINTENANCE
The non-additivity of the proton chemical shifts of pyrocatechol and pyrogallol can be rationalised in terms of a hydrogen-bonding interaction between the adjacent hydroxy-groups, but not by a non-bonding interaction between adjacent oxygen atoms. Electron densities were calculated by the Hückel molecular orbital method, with account taken of the two effects.
L. C. Cowherd and J. F. Geldard, J. Chem. Soc. A, 1971, 486 DOI: 10.1039/J19710000486
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