Geometry changes of aryl amino groups resulting from changes in electron withdrawal: an ab initio molecular orbital study
- 1 January 1993
- journal article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 3,p. 567-571
- https://doi.org/10.1039/p29930000567
Abstract
Changes in the geometry of aryl amino groups in aniline, aminopyridines and protonated forms of these molecules have been studied by ab initio 6–31G* molecular orbital calculations. The pyramidal nature of the amino group in aniline is reduced by increased π-electron withdrawal by the ring but coplanarity with the ring (sp2 hybridized nitrogen) only results when a very strongly π-electron withdrawing centre is conjugated with the amino group.Keywords
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