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Compounds where a non-stereogenic sp2 atom (for instance the C atom of a benzene ring) is linked to a stereogenic sp3 atom (for instance CHFCl) have several conformations where two diastereotopic nuclei become isochronous. This also happens in some cases when the sp3 atom is non-stereogenic, the difference being related to the weighted value of the difference of absolute...
Calculations of absolute shieldings and nuclear‐independent chemical shift [NICS(1)] values of 84 compounds (benzenes, silabenzenes, pyridines and phosphabenzenes) allowed to discuss the absolute shieldings in the function of Brown σp+ substituent constant and to predict 71 new chemical shifts. The NICS(1) analysis of the aromaticity leads to the unexpected result for the silabenzenes that it is almost...
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