The chemical shifts of methyl cation and anion have been calculated. The tensor components about the out-of-plane p orbitals were essentially the same, but the components about the in-plane axes differed by over 700 ppm. The experimental chemical shifts of benzene and the aromatic ions fall on the l
Relationship between reactivity and 13C chemical shifts of benzocyclobutenes
β Scribed by T. Kametani; M. Kajiwara; T. Takahashi; K. Fukumoto
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- French
- Weight
- 216 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0040-4020
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Isotropic 13C chemical shifts of the ribose sugar in model RNA nucleosides are calculated using SCF and DFT-GIAO ab initio methods for different combinations of ribose sugar pucker, exocyclic torsion angle, and glycosidic torsion angle. Idealized conformations were obtained using structures that wer
## Abstract The ^19^F substituent chemical shifts (SCS) of a series of __para__βphenylacetyl fluorides (Xο£ΏPhο£ΏCH~2~ο£ΏCOF) are reported and compared with the related benzoyl fluoride series (Xο£ΏPhο£ΏCOF). A dual substituent parameter analysis of the results for the new series shows that both inductive an