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1H NMR isotope shifts arising from the substitution of 12C by 13C: application to polycyclic aromatic hydrocarbon anions

✍ Scribed by Roy E. Hoffman; Noach Treitel; Mordecai Rabinovitz

Publisher
John Wiley and Sons
Year
2001
Tongue
English
Weight
123 KB
Volume
39
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

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 Β© 2001 John Wiley & Sons, Ltd.

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Much evidence has been provided for the presence of contact-term contribution to paramagnetic shifts induced by lanthanide shift reagents (1) in 'H, 13C, 14N, 19F, and 3'P NMR spectroscopy (2,3). Conspicuous effects of contact shifts (C.S .) have been observed in 13C NMR spectra of stronger Lewis ba