Effect of the spin-orbit interaction of ligands on the parameters of EPR spectra for a series of niobium(IV) complexes of trans-[NbX4(OPPh3)2] (X = Cl, Br, I)

Vladimir A. Nadolinny,Pavel A. Poltarak,Andrey Yu. Komarovskikh,Sergey V. Tumanov,Denis G. Samsonenko,Vladislav Yu. Komarov,Mikhail M. Syrokvashin,Pavel V. Dorovatovskii,Vladimir A. Lazarenko,Sofya B. Artemkina,Vladimir E. Fedorov

Inorganica Chimica Acta（2021）

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摘要

•Reaction of NbI5 with OPPh3 PPh3 mixture yield the Nb(IV) complex [NbI4(OPPh3)2].•The magnetic properties for [NbX4(OPPh3)2] (X = Cl, Br, I) were systematically studied.•EPR parameters calculations gave a negative sign to the principal hyperfine tensors.

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关键词

Niobium(IV) complex,d1 configuration,Spin-orbital interaction,X-ray crystal structure,EPR,Magnetic susceptibility,DFT calculations

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