The problem of the relationship between proton affinity (intrinsic basicity) and the charge on the basic centre
✍ Scribed by J. Catalan; J.L.G. De Paz; M. Yañez; J. Elguero
- Book ID
- 119116203
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 732 KB
- Volume
- 108
- Category
- Article
- ISSN
- 0166-1280
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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