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Substituent effects on the gas phase basicities of acetophenones

✍ Scribed by Masaaki Mishima; Mizue Fujio; Yuho Tsuno

Publisher
Elsevier Science
Year
1986
Tongue
French
Weight
244 KB
Volume
27
Category
Article
ISSN
0040-4039

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The change in the proton affinity (PA) and basicity (GB) of pyridine with substituents have been considered by quantum mechanical methods at the B3LYP/6-311++G(d,p) level of theory. The PA and GB values increase by the electron-donating substituents and decrease by the electron-withdrawing substitue