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Deuterium Quantification through Deuterium‐Induced Remote 1 H and 13 C NMR Shifts
Author(s) -
Knorr Rudolf,
Stephenson David S.
Publication year - 2012
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201102865
Subject(s) - deuterium , deuterium nmr , chemistry , chemical shift , relaxation (psychology) , resonance (particle physics) , nuclear magnetic resonance , analytical chemistry (journal) , atomic physics , physics , chromatography , psychology , social psychology
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.