There are many literature examples correlating C-13 n.m.r. substituent chemical shifts in substituted benzenes with Bsamett substituent constants.' The direction of these substituent chemical shifts has been logically explained in terms of substituent electronic properties; the electron donors resul
Quantum chemical prediction of the13C NMR shifts in alkyl and chlorocorannulenes: correction of chlorine effects
β Scribed by Kim K. Baldridge; Jay S. Siegel
- Book ID
- 105886077
- Publisher
- Springer
- Year
- 2007
- Tongue
- English
- Weight
- 757 KB
- Volume
- 120
- Category
- Article
- ISSN
- 1432-2234
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The "C NMR spectra of nine dichlorinated bicyclo[2.2.l]heptanes (norbornanes) have been measured and assigned. The pairwise effects of chlorine substituents which cause deviations from the additivity of single-snbstituent effects were investigated and are discussed. The largest effect found is the h
The 13C NMR spectra have been determined of: (i) aliphatic compounds having at one end a functionalized sulphur atom (-SH, -S-, -SMe, -S(O)Me, -SO,Me and -S-'Me,) and (ii) saturated sulphur heterocycles variously substituted at the S-atom (\S, \SO '\SO, and 'xS Me). The results are discussed in term