The direct detection of a hydrogen bond in the solid state by NMR through the observation of a hydrogen-bond mediated (15)N [bond] (15)N J coupling

J Am Chem Soc. 2002 Feb 20;124(7):1152-3. doi: 10.1021/ja0172262.

Abstract

A new method for detecting hydrogen bonds in the solid state is presented. Using two-dimensional NMR correlation experiments, it is shown that a hydrogen-bond mediated J coupling can be observed in a powder under magic-angle spinning conditions, even though the J coupling is 2 orders of magnitude smaller than the dominant anisotropic interactions encountered in solid-state NMR. Specifically, the observation of a pair of peaks in a two-dimensional 15N-15N solid-state INADEQUATE experiment due to two nitrogens that have no covalent connectivity is attributed to the presence of a J coupling across a linking hydrogen bond.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amines / chemistry*
  • Hydrogen Bonding
  • Nitrogen Isotopes
  • Nuclear Magnetic Resonance, Biomolecular / methods*
  • Nucleic Acid Conformation
  • Protein Structure, Secondary
  • Triazoles / chemistry*

Substances

  • Amines
  • N-((5-(phenylamino)methylene-1,3-cyclopentadion-1-yl)methylene)-1,2,4-triazole-4-amine
  • Nitrogen Isotopes
  • Triazoles