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Royal Society of Chemistry, Physical Chemistry Chemical Physics

DOI: 10.1039/c5cp06702b

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Towards physical interpretation of substituent effects: the case of meta- and para-substituted anilines

Journal article published in 2016 by Halina Szatylowicz, Tomasz Siodla, Olga A. Stasyuk ORCID, Tadeusz M. Krygowski
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Quantum chemical modeling was used to investigate the electron-donating properties of the amino group in a series ofmeta- andpara-X-substituted anilines (X = NMe2, NH2, OH, OMe, CH3, H, F, Cl, CF3, CN, CHO, COMe, CONH2, COOH, NO2, and NO).