Detection of natural abundance 13C J-couplings at Earth's magnetic field for spin system differentiation of small organic molecules

Derrick C Kaseman; Rami J Batrice; Robert F Williams

doi:10.1016/j.jmr.2022.107272

Detection of natural abundance ¹³C J-couplings at Earth's magnetic field for spin system differentiation of small organic molecules

J Magn Reson. 2022 Sep:342:107272. doi: 10.1016/j.jmr.2022.107272. Epub 2022 Jul 26.

Authors

Derrick C Kaseman¹, Rami J Batrice², Robert F Williams³

Affiliations

¹ Bioenergy and Biome Sciences Group, Los Alamos National Laboratory, Los Alamos, NM 87545, United States; Nuclear Magnetic Resonance Facility, University of California Davis, Davis, CA 95616, United States. Electronic address: dkaseman@lanl.gov.
² Chemical Diagnostics and Engineering Group, Los Alamos National Laboratory, Los Alamos, NM 87545, United States.
³ Bioenergy and Biome Sciences Group, Los Alamos National Laboratory, Los Alamos, NM 87545, United States.

PMID: 35917767
DOI: 10.1016/j.jmr.2022.107272

Abstract

Nuclear magnetic resonance (NMR) spectroscopy routinely characterizes the unique spin systems of molecules using a combination of chemical shift and J-coupling interactions for the ¹H and ¹³C nuclei. However, at Earth's magnetic field, chemical shifts are unresolvable and the ability to characterize structure relies solely on the J-couplings. Fortuitously, the J-couplings at Earth's field provides the same spin system information as high field, but only requires detection of the ¹H nucleus. We report the first identification of the multiple natural abundance ¹H-¹³C spin systems on organic molecules detected at Earth's magnetic field. The results clearly demonstrate the feasibility of Earth's field NMR to characterize small organic molecules without costly enrichment strategies.

Published by Elsevier Inc.

Publication types

Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

Magnetic Fields*
Magnetic Resonance Spectroscopy / methods