Abstract
The molecular and electronic structure of eight substituted quinolines has been investigated byHeI/HeII photoelectron spectroscopy, Green's function calculations, and comparison with the spectraof related compounds. The correlation between nitrogen lone pair ionization energies and basicityin 18 substituted quinolines is discussed. The influence of different substituents has been quantifiedvia the scheme that is based on experimental energy shifts. The relationships between nitrogenionization energies, pKa values, and medicinal activity are also discussed.
| Original language | English |
|---|---|
| Pages (from-to) | 5005-5010 |
| Number of pages | 6 |
| Journal | Journal of Organic Chemistry |
| Volume | 69 |
| Issue number | 15 |
| DOIs | |
| Publication status | Published - 2004 |
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Novak, I., & Kovac, B. (2004). UV Photoelectron Spectroscopic Study of Substituent Effects in Quinoline Derivatives. Journal of Organic Chemistry, 69(15), 5005-5010. https://doi.org/10.1021/jo040154n