title: Deuterium quantification through deuterium-induced remote 1H and 13C 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.
authors.affiliation: Department Chemie der Ludwig-Maximilians-Universität München, Butenandtstrasse 5-13 (Haus F), 81377 München, Germany. rhk@cup.uni-muenchen.de
authors.forename: Rudolf
authors.initials: R
authors.lastname: Knorr
authors.forename: David S
authors.initials: DS
authors.lastname: Stephenson
mesh_terms: D002247:Carbon Isotopes; D003903:Deuterium / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D015394:Molecular Structure
chemical_list: D002247:Carbon Isotopes; D003903:Deuterium