Deuterium Quantification through Deuterium‐Induced Remote¹H and¹³C NMR Shifts

Abstract

Partial labeling by deuterium may be quantified through simple integrations of those (1)H (200 or 400 MHz) and (13)C (100.6 MHz) NMR resonances that are split into pairs by chemical shifts (n)Δ = δ(deuterated) - δ(nondeuterated) as induced by deuterium across n>2 chemical bonds. The relative intensities of the two components of a pair are shown to be influenced to practically equal degrees by relaxation effects, so that a deuterium fraction may be determined from (1)H and (13)C integral pairs at more remote molecular positions under the routine conditions of fast accumulative spectral acquisition.