Intrinsic Deuterium Isotope Effects of Deuteriated tert-Butyl Groups on the 13C NMR Spectra of Aromatic Compounds

Article abstract of DOI:10.1002/mrc.1260280511

The 3_Δ-deuterium isotope effects of partially and fully deuteriated tert-butyl groups on the 13C NMR spectra of tert-butylbenzene and derivatives are discussed in detail.It is shown that they correlate with the chemical shift of C-1 of the aromatic ring.It has been demonstrated that when deuterium is replaced with some other substituents, the SCS values of these substituents show a parallel behaviour to the deuterium isotope effects.It is concluded that, for the compounds studied, deuterium isotope effects and substituent chemical shifts can be described on a common basis.