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1 H NMR isotope shifts arising from the substitution of 12 C by 13 C: application to polycyclic aromatic hydrocarbon anions
Author(s) -
Hoffman Roy E.,
Treitel Noach,
Rabinovitz Mordecai
Publication year - 2001
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.865
Subject(s) - chemistry , deuterium , kinetic isotope effect , carbon 13 , deuterium nmr , chemical shift , isotope , natural abundance , carbon 13 nmr , hydrocarbon , abundance (ecology) , isotopic labeling , isotopes of carbon , proton , carbon fibers , computational chemistry , stereochemistry , organic chemistry , mass spectrometry , nuclear physics , materials science , physics , chromatography , fishery , composite number , total organic carbon , composite material , biology
Isotope shifts are a well‐established tool for structural analysis by NMR. The substitution of a protium with a deuterium is the most widely studied of these effects. However, such studies call for specific deuteration that requires complex synthetic techniques owing to the low natural abundance of deuterium. 13 C occurs at a higher natural abundance and couples strongly with its attached proton. We have developed and refined a method to reliably observe these much smaller shifts without needing to resort to chemical synthesis. We show that carbon induced isotope shifts reflect structural features. Copyright © 2001 John Wiley & Sons, Ltd.