title: Internuclear (31)P-(51)V distance measurements in polyoxoanionic solids using rotational echo adiabatic passage double resonance NMR spectroscopy.
abstract: We report the first results establishing rotational echo adiabatic passage double resonance (REAPDOR) experiments for distance measurements between a spin-1/2 (31P) and spin-7/2 (51V) pair in a series of vanadium-substituted polyoxoanionic solids from the Keggin and Wells-Dawson families. We have quantitatively measured 31P-51V distances in monovanadium substituted K4PVW11O40, 1-K7P2VW17O62, and 4-K7P2VW17O62. Numerical simulations of the experimental data yield very good agreement with the averaged P-W/P-V distances determined from the X-ray diffraction measurements in the same or related compounds. REAPDOR is therefore a very sensitive P-V distance probe anticipated to be especially useful in the absence of long-range order. Our results suggest that REAPDOR spectroscopy could be broadly applicable for interatomic distance measurements in other spin-7/2-spin-1/2 nuclear pairs.
authors.affiliation: Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware 19716, USA.
authors.forename: Wenlin
authors.initials: W
authors.lastname: Huang
authors.forename: Alexander J
authors.initials: AJ
authors.lastname: Vega
authors.forename: Terry
authors.initials: T
authors.lastname: Gullion
authors.forename: Tatyana
authors.initials: T
authors.lastname: Polenova
mesh_terms: D000838:Anions / Q000737:chemistry; D003198:Computer Simulation; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008968:Molecular Conformation; D010100:Oxygen / Q000737:chemistry*; D010759:Phosphorus Isotopes / Q000737:chemistry; D014639:Vanadium / Q000737:chemistry*
chemical_list: D000838:Anions; D010759:Phosphorus Isotopes; D014639:Vanadium; D010100:Oxygen