5 years ago

Back-Donation in High-Valent d0 Metal Complexes: Does It Exist? The Case of NbV

Back-Donation in High-Valent d0 Metal Complexes: Does It Exist? The Case of NbV
Gianluca Ciancaleoni, Fabio Marchetti, Leonardo Belpassi
A detailed bond analysis on [NbVCl6−xLx]y complexes (L = N-heterocyclic carbene, carbon monoxide, isocyanide, cyanide) shows that NbV, even being a d0 metal, is capable of back-donation to the ligand by a charge flux that involves the chloride in the trans position and, directly, the metal. On the other hand, the role of the chloride in the cis position to L critically depends on the nature of the π acceptor.

Publisher URL: http://dx.doi.org/10.1021/acs.inorgchem.7b01635

DOI: 10.1021/acs.inorgchem.7b01635

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