Internuclear (31)P-(51)V distance measurements in polyoxoanionic solids using rotational echo adiabatic passage double resonance NMR spectroscopy

J Am Chem Soc. 2007 Oct 31;129(43):13027-34. doi: 10.1021/ja073170l. Epub 2007 Oct 6.

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.

Publication types

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

MeSH terms

  • Anions / chemistry
  • Computer Simulation
  • Magnetic Resonance Spectroscopy
  • Models, Molecular
  • Molecular Conformation
  • Oxygen / chemistry*
  • Phosphorus Isotopes / chemistry
  • Vanadium / chemistry*

Substances

  • Anions
  • Phosphorus Isotopes
  • Vanadium
  • Oxygen