Theoretical calculations on pyrazole derivatives. Part 2. Effect of cationic C-substituents (NH3 + and N2 +) on the basicity and tautomerism of pyrazoles
✍ Scribed by Hammadi, Abdellatif El; Mouhtadi, Mohamed El; Notario, Rafael; Werner, Andreas; Elguero, Jos�
- Book ID
- 120168695
- Publisher
- Royal Society of Chemistry
- Year
- 1995
- Tongue
- English
- Weight
- 503 KB
- Volume
- 2
- Category
- Article
- ISSN
- 1472-779X
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Possible isomers of Buckminsterfullerene derivatives C O and C O 60 2 60 3 are studied with the semiempirical quantum mechanical INDO method. The C O 60 2 isomer of C symmetry, where the epoxy oxygen atoms are on the 6᎐6 bond of a s hexagon, is found most stable. The C O isomer of C symmetry with a
## Abstract The synthesis and assignment of ^15^N and ^13^C NMR signals of the 1,3,4‐oxathiazol‐2‐one ring in a series of __para__‐substituted 5‐phenyl derivatives are reported. DFT calculations of ^15^N and ^13^C chemical shifts correspond closely to observed values. Substituent effects are interp