A structure–reactivity relationship for the basicity of aza-arenes
- 1 January 1985
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 3,p. 417-419
- https://doi.org/10.1039/p29850000417
Abstract
A semi-empirical reactivity index for the simple prediction of nitrogen basicities (pKa values) of aza-arenes is presented, based on the concept of an effective potential W for the valence electrons on aza-nitrogen. Analysis of results for aza-benzenes and -naphthalenes indicates that the basicities are highly sensitive to intramolecular long range effects.Keywords
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