Studies on the Proton Magnetic Resonance Spectra in Aromatic Systems. XVII. On the Electronic Indices of 3-and 4-Substituted Pyridine, 6-Substituted Quinoline and 6-Substituted Quinoxaline Derivatives

Abstract

The electronic indices : π-electron charge density ρ, Fr, Sr(E), Sr(R) and Sr(N) : were obtained for 3-and 4-substituted pyridine, 6-substituted quinoline and 6-substituted quinoxaline derivatives, and the following results were obtained. 1. The ρ values are linearly related to the substituent constant σπ. 2. Fr, Sr(E), Sr(R) and Sr(N) are linearly related with σπ for electron releasing substituent group sites, but this linear relation does not hold for electron attracting substituent group sites. 3. The reliability of the simple sum rule of molecular electronic indices was confirmed.