## Carbon -13 chemical shifts of l-phenylsulphonyl-2-phenylaziridine and several of its mand psubstituted derivatives have been determined. The substituent chemical shift (SCS) effects on the benzylic carbon C-2, and on the methylene carbon C-3 have been satisfactorily correlated with Hammett subs
Substituent effects on 13C chemical shifts
✍ Scribed by William B Smith; Dennis L Deavenport
- Publisher
- Elsevier Science
- Year
- 1972
- Weight
- 351 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0022-2364
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## Abstract GIAO/HF and DFT methods were utilized to predict the ^13^C chemical shifts of substituted ketenimines. GIAO HF/6–311+G(2d,p) and B3LYP/6–311+G(2d,p) methods were applied on the optimized B3LYP/6–31G(d) geometries and ^13^C chemical shifts of C~α~ and C~β~ of substituted ketenimines were
## Abstract Long range inter‐ring ^13^C^13^C couplings are found to be effective in the title compounds, and the magnitudes of coupling constants and of substituent effects on ^13^C chemical shifts, as well as the signs of the latter, alternate with respect to the number of connecting bonds.
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