Solid-state ¹?O NMR spectroscopy of paramagnetic coordination compounds.

ABSTRACT: High-quality solid-state (17)O (I=5/2) NMR spectra can be successfully obtained for paramagnetic coordination compounds in which oxygen atoms are directly bonded to the paramagnetic metal centers. For complexes containing V(III) (S=1), Cu(II) (S=1/2), and Mn(III) (S=2) metal centers, the (17)O isotropic paramagnetic shifts were found to span a range of more than 10,000?ppm. In several cases, high-resolution (17)O NMR spectra were recorded under very fast magic-angle spinning (MAS) conditions at 21.1?T. Quantum-chemical computations using density functional theory (DFT) qualitatively reproduced the experimental (17)O hyperfine shift tensors.

SUBMITTER: Kong X 

PROVIDER: S-EPMC4418630 | biostudies-literature | 2015 Apr

REPOSITORIES: biostudies-literature