title: 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.
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.
authors.affiliation: Laboratoire de Stéréochimie et des Interactions Moléculaires, UMR 5532 CNRS/ENS, Laboratoire de Recherche Conventionné du CEA (no. 23V), Ecole Normale Supérieure de Lyon, 69364 Lyon, France.
authors.forename: Steven P
authors.initials: SP
authors.lastname: Brown
authors.forename: Marta
authors.initials: M
authors.lastname: Pérez-Torralba
authors.forename: Dionísia
authors.initials: D
authors.lastname: Sanz
authors.forename: Rosa María
authors.initials: RM
authors.lastname: Claramunt
authors.forename: Lyndon
authors.initials: L
authors.lastname: Emsley
mesh_terms: D000588:Amines / Q000737:chemistry*; D006860:Hydrogen Bonding; D009587:Nitrogen Isotopes; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D009690:Nucleic Acid Conformation; D017433:Protein Structure, Secondary; D014230:Triazoles / Q000737:chemistry*
chemical_list: D000588:Amines; C452222:N-((5-(phenylamino)methylene-1,3-cyclopentadion-1-yl)methylene)-1,2,4-triazole-4-amine; D009587:Nitrogen Isotopes; D014230:Triazoles