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Synthesis and Characterization of Ni III N3S2 Complexes as Active Site Models for the Oxidized Form of Nickel Superoxide Dismutase
Author(s) -
Chiang ChienWei,
Chu YunLi,
Chen HongLing,
Kuo TingShen,
Lee WayZen
Publication year - 2014
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.201304543
Subject(s) - nickel , pyridine , chemistry , unpaired electron , superoxide dismutase , ligand (biochemistry) , active site , crystallography , stereochemistry , nitrogen , inorganic chemistry , medicinal chemistry , molecule , enzyme , organic chemistry , biochemistry , receptor
Nickel complexes, [Ni(H 2 BA R TPP)](ClO 4 ) 2 (R=Ph for 1 or i Pr for 2 ), supported by a pentadentate ligand H 2 BA R TPP were synthesized and oxidized to form Ni III species having a N3S2 coordination environment to mimic the active site of the oxidized form of nickel superoxide dismutase (NiSODox). The Ni III species 2 + exhibited a rhombic signal with g values at 2.15, 2.12 and 2.02 similar to that of NiSODox. DFT calculations revealed that 2 + has an unpaired electron primarily located in the d z 2orbital of the Ni III center, which strongly overlaps with the p z orbital of the axial pyridine nitrogen of H 2 BA Pr TPP.