𝔖 Bobbio Scriptorium
✦   LIBER   ✦

DFT study on the effect of exocyclic substituents on the proton affinity of 1-methylimidazole

✍ Scribed by Liu, Haining; Bara, Jason E.; Turner, C. Heath

Book ID
122598669
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
899 KB
Volume
416
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Additivity of substituent effects on the
Additivity of substituent effects on the proton affinity and gas-phase basicity of pyridines
✍ A. Ebrahimi; S.M. Habibi-Khorasani; M. Jahantab πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier 🌐 English βš– 422 KB

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