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Heats of alkylation of substituted pyridines. A comparison of carbon basicity, proton affinity, and nucleophilicity

โœ Scribed by Arnett, Edward M.; Petro, Craig


Book ID
125996664
Publisher
American Chemical Society
Year
1976
Tongue
English
Weight
475 KB
Volume
98
Category
Article
ISSN
0002-7863

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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