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
โฆ LIBER โฆ
The theoretical determination of heats of formation, proton affinities and gas basicities of N and C-substituted pyrazoles: analysis of the substituent effects on the gas-phase basicity
โ Scribed by A. El Hammadi; M. El Mouhtadi
- Book ID
- 114143920
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 503 KB
- Volume
- 497
- Category
- Article
- ISSN
- 0166-1280
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