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Comment on “A Nickel(II)‐Based Radical‐Ligand Complex as a Functional Model of Hydrogenase”
Author(s) -
Stein Matthias
Publication year - 2011
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201002985
Subject(s) - nickel , electron paramagnetic resonance , unpaired electron , ligand (biochemistry) , chemistry , hydrogenase , paramagnetism , sulfur , spin states , crystallography , photochemistry , computational chemistry , radical , inorganic chemistry , nuclear magnetic resonance , catalysis , organic chemistry , physics , biochemistry , quantum mechanics , receptor
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 Ni II ‐based radical ligand complex as indicated in the original publication.