Solid-state ¹⁷O NMR Spectroscopy of Paramagnetic Coordination Compounds

Overview

Journal Angew Chem Int Ed Engl

Specialty Chemistry

Date 2015 Feb 20

PMID 25694203

Citations 13

Authors

Xianqi Kong

Victor V Terskikh

Rahul L Khade

Liu Yang

Amber Rorick

Yong Zhang

Peng He

Yining Huang

Gang Wu

Affiliations

Soon will be listed here.

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.

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