High-resolution zero-field NMR J-spectroscopy of aromatic compounds

J Am Chem Soc. 2013 Mar 6;135(9):3607-12. doi: 10.1021/ja312239v. Epub 2013 Feb 25.

Abstract

We report the acquisition and interpretation of nuclear magnetic resonance (NMR) J-spectra at zero magnetic field for a series of benzene derivatives, demonstrating the analytical capabilities of zero-field NMR. The zeroth-order spectral patterns do not overlap, which allows for straightforward determination of the spin interactions of substituent functional groups. Higher-order effects cause additional line splittings, revealing additional molecular information. We demonstrate resonance linewidths as narrow as 11 mHz, permitting resolution of minute frequency differences and precise determination of long-range J-couplings. The measurement of J-couplings with the high precision offered by zero-field NMR may allow further refinements in the determination of molecular structure and conformation.

Publication types

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

MeSH terms

  • Benzene Derivatives / chemistry*
  • Magnetic Fields
  • Magnetic Resonance Spectroscopy
  • Reference Standards

Substances

  • Benzene Derivatives