Influence of Bystander Substituents on the Rates of 1,2-H and 1,2-Ph Shifts in Singlet and Triplet Carbenes
โ Scribed by Keating, Amy E.; Garcia-Garibay, Miguel A.; Houk, K. N.
- Book ID
- 126789533
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 179 KB
- Volume
- 102
- Category
- Article
- ISSN
- 1089-5639
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๐ SIMILAR VOLUMES
Density functional theory calculations of multiplet splittings are presented that agree closely with experimental measurements for six carbenes and six vinylidenes. The calculations are further analyzed to gauge the relative importance of different factors influencing the stabilities of the differen
## Abstract The influence of substituents on ^1^H and ^13^C NMR chemical shifts of 2โsubstituted 1,3โdimethylbenzimidazolium perchlorates in different solvents has been investigated. It has been shown that the transmission of the electronic effects of the substituents in benzimidazoles and their qu