Planar tetraco-ordinate carbon candidates: MNDO calculations on substituted phenyl-lithium dimers
- 1 January 1981
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 6,p. 260-261
- https://doi.org/10.1039/c39810000260
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.Keywords
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