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.
High-quality solid-state (17)O (I=5/2) NMR spectra can be successfully obtained for paramagnetic coordination compounds in which n class="Chemical">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.
Authors: Daniel M Dawson; Lauren E Jamieson; M Infas H Mohideen; Alistair C McKinlay; Iain A Smellie; Romain Cadou; Neil S Keddie; Russell E Morris; Sharon E Ashbrook Journal: Phys Chem Chem Phys Date: 2013-01-21 Impact factor: 3.676
Authors: David M Halat; Rıza Dervişoğlu; Gunwoo Kim; Matthew T Dunstan; Frédéric Blanc; Derek S Middlemiss; Clare P Grey Journal: J Am Chem Soc Date: 2016-09-02 Impact factor: 15.419