A theoretical study of the dielectric solvent effect on vicinal spin coupling constants
✍ Scribed by Isao Ando; Tetsuo Asakura; Shosuke Watanabe
- Book ID
- 119115638
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 731 KB
- Volume
- 76
- Category
- Article
- ISSN
- 0166-1280
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📜 SIMILAR VOLUMES
## Abstract The magnitude of the NMR spin‐spin coupling constant, ^3^__J__(CH), between a vicinal ^13^C–^1^H pair depends, __inter alia__, on the value of the torsion angle Φ~CH~(^13^CCCH) and is influenced by the presence of an electronegative substituent located on the coupling ^13^C nucleus.
## Abstract The increments in ^3^__J__(CH) for substituents attached to C^γ^ in the ^13^C^α^‐C^β^‐C^γ^‐^1^H coupling pathway, with respect to ^3^__J__(CH) in propane are calculated for equal C^β^‐C^γ^ rotamer population from ^3^__J__(CH) observed in the corresponding neopentyl compounds. From th
## Abstract MO calculations based on the finite perturbation theory in the INDO approximation have been carried out on selenophene, eighteen of its monosubstituted derivatives and benzo (b)selenophene. The calculated nuclear spin coupling constants satisfactorily reproduce signs, magnitudes, intern