title: Phonon-driven proton transfer in 3,5-pyridine dicarboxylic acid studied by 2H, 14N, and 17O nuclear quadrupole resonance.
abstract: Hydrogen bonding in crystalline 3,5-pyridine dicarboxylic acid has been studied by (2)H, (14)N, and (17)O nuclear quadrupole resonance. The (2)H and (17)O data show the presence of two distinct hydrogen bonds, a "normal" O-H···O bond and a short, strong N···H···O bond, with significantly different NQR parameters. In the latter, the temperature variation of the (14)N nuclear quadrupole resonance (NQR) parameters is related to the phonon-driven proton transfer in the N···H···O hydrogen bond. The temperature dependence of the N···H and H···O distances in the N···H···O hydrogen bond is extracted from the (14)N NQR data.
authors.affiliation: Jozef Stefan Institute, Ljubljana, Slovenia. janez.seliger@fmf.uni-lj.si
authors.forename: Janez
authors.initials: J
authors.lastname: Seliger
authors.forename: Veselko
authors.initials: V
authors.lastname: Zagar
mesh_terms: D002627:Chemistry, Physical; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure; D060739:Phonons; D011522:Protons; D011725:Pyridines / Q000737:chemistry*; D011789:Quantum Theory; D013696:Temperature
chemical_list: C546051:3,5-pyridinedicarboxylic acid; D011522:Protons; D011725:Pyridines