Correlations Among One-Bond Deuterium Isotope Shifts in 13C NMR and C- H Stretching Frequencies in IR for Monosubstituted Methane Derivatives

The effects of one bond deuterium isotope on 13C NMR chemical shifts (1Δ) of the title compounds were found to be correlated with the corresponding C–H stretching frequencies(νCH) in IR spectroscopy, as follows: 1Δ(ppb)=−8.69 νCH(cm−1)+26500.