Planar tetraco-ordinate carbon candidates: MNDO calculations on substituted phenyl-lithium dimers

Abstract
MNDO calculations indicate the dimer of 2,6-dihydroxyphenyl-lithium (a model for the dimethoxy derivative) to prefer a geometry with two planar tetraco-ordinate carbon atoms; extended aromatic π-delocalisation, stability of multicentre ó bonds involving lithium, and ‘intramolecular solvation’(chelation) are responsible for this preference.

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