Basicities of primary arylamines and calculated amine nitrogen electronic charges
Mülliken charges on nitrogen atoms were calculated for several arylamines, utilizing the AM1 Quantum Chemistry method, relating their values to experimental amine pKa . Direct relation between pKa and nitrogen charges was found. The amines energies of protonation, calculated by the same method, also...
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| Format: | Article |
| Language: | English |
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Universidade Estadual Paulista
2018-05-01
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| Series: | Eclética Química |
| Online Access: | https://revista.iq.unesp.br/ojs/index.php/ecletica/article/view/598 |