Get access

Comment on “A Nickel(II)-Based Radical-Ligand Complex as a Functional Model of Hydrogenase”

Authors

  • Dr. Matthias Stein

    Corresponding author
    1. Molecular Simulations and Design Group, Max Planck Institute for Dynamics of Complex Technical Systems, Sandtorstrasse 1, 39106 Magdeburg (Germany), Fax: (+49) 391-6110-403
    • Molecular Simulations and Design Group, Max Planck Institute for Dynamics of Complex Technical Systems, Sandtorstrasse 1, 39106 Magdeburg (Germany), Fax: (+49) 391-6110-403
    Search for more papers by this author

Abstract

original image

Where is the spin? Nickel bisthiolenes form paramagnetic monoanionic species. The non-innocence of the sulfur ligands makes a definite assignment of the oxidation state of the central metal atom difficult. EPR spectroscopy and DFT calculations reveal that there is an even distribution of unpaired spin between the nickel and each of the ligands (ca. 1/3 each). There is no evidence for a NiII-based radical ligand complex as indicated in the original publication.

Ancillary