A simple method for analyzing 51V solid-state NMR spectra of complex systems.

Abstract Five vanadium complexes as models for biological systems were investigated using 51 V-MAS–NMR spectroscopy. All spectra show an uncommon line shape, which can be attributed to a shorter relaxation time of the satellite transition in contrast to the central one. A method for the reliable analysis of such kind of spectra is presented for the first time and the most important NMR parameters of the investigated complexes (quadrupolar coupling constant C Q , asymmetry of the EFG tensor η Q , isotropic chemical shift δ iso , chemical shift anisotropy δ σ and asymmetry of the CSA tensor η σ ) are presented. These results are of particular importance with respect to the analysis of the 51 V-MAS–NMR spectra of vanadium moieties in biological matrices such as vanadium chloroperoxidase, which show hitherto unexplained low intensity of the satellite sideband pattern.