Influence of hydroxyl substitution on benzyne properties: quantum chemical characterization of the didehydrophenols

Authors :: Johnson, William T.G.
Cramer, Christopher J.
Source :: Journal of the American Chemical Society. Feb 7, 2001, Vol. 123 Issue 5, p923, 6 p.
Publication Year :: 2001
Abstract: Research into the geometries and singlet-triplet splittings for the 10 geometrical isomers of didehydrophenol is presented. It is possible to accurately estimate the singlet-triplet splittings by correlation with proton hyperfine coupling constants in antecedent monoradicals.

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