## Abstract The ^13^C NMR chemical shifts for 1,3‐dithiolane and 13 methyl substituted derivatives are reported. Substituent effects are derived and compared with those for cyclopentanes and 1,3‐dioxolanes. The magnitude and variety of the substituent effects are best explained with the aid of a ha
Correlation analysis of the 13C chemical shifts of substituted benzaldehyde 2-aminobenzoylhydrazones. Study of the propagation of substituent effects along a heteroatomic chain
✍ Scribed by Kari Neuvonen; Ferenc Fülöp; Helmi Neuvonen; Mario Simeonov; Kalevi Pihlaja
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 805 KB
- Volume
- 10
- Category
- Article
- ISSN
- 0894-3230
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Ab initio IGLO (individual gauge for localized molecular orbital) methods of SCF-MO theory were used to extend studies of the conformational dependences of isotropic 13C NMR chemical shifts to n-hexane and three 1-substituted pentanes (X \ CN, OH, F). Isotropic shifts were obtained as a func-XCH 2 C
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