Proton chemical shifts and pi-electron densities in substituted benzenes
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The relation between proton chemical shifts and pi-electron densities in aromatic systems suggested by Schug and Dech has been modified so as to include contributions due to steric effects. The proton chemical shifts inmeta disubstituted benzenes calculated from the modified relation are in good agreement with the observed data. The relation enables one to assess the steric effects of the substituents.
KeywordsBenzene Chemical Shift Nitrobenzene Steric Effect Aromatic System
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