Angewandte Chemie International Edition by Xianqi Kong, Victor V. Terskikh, Rahul L. Khade, Liu Yang, Amber Rorick, Yong Zhang, Peng He, Yining Huang, Gang Wu / 11d // keep unread // hide // preview 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 tenso...