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Intrinsic deuterium isotope effects of deuteriated tert ‐butyl groups on the 13 C NMR spectra of aromatic compounds
Author(s) -
Balzer Hartmut H.,
Berger Stefan
Publication year - 1990
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260280511
Subject(s) - chemistry , deuterium , kinetic isotope effect , deuterium nmr , substituent , chemical shift , nmr spectra database , isotope , medicinal chemistry , ring (chemistry) , carbon 13 nmr , spectral line , stereochemistry , organic chemistry , physics , quantum mechanics , astronomy
The 3 Δ‐deuterium isotope effects of partially and fully deuteriated tert ‐butyl groups on the 13 C 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.