Synthesis and characterization of NiIIIN3S2 complexes as active site models for the oxidized form of nickel superoxide dismutase

Chien Wei Chiang, Yun Li Chu, Hong Ling Chen, Ting Shen Kuo, Way-Zen Lee

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

Nickel complexes, [Ni(H2BARTPP)](ClO 4)2 (R=Ph for 1 or iPr for 2), supported by a pentadentate ligand H2BARTPP were synthesized and oxidized to form NiIII species having a N3S2 coordination environment to mimic the active site of the oxidized form of nickel superoxide dismutase (NiSODox). The NiIII species 2+ exhibited a rhombic signal with gvalues 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 2 orbital of the NiIII center, which strongly overlaps with the p z orbital of the axial pyridine nitrogen of H2BA PrTPP. SOD's law: Complexes [Ni(H2BARTPP)] (ClO4)2 (R=Ph or iPr; see structure), supported by a pentadentate ligand H2BARTPP, were synthesized and oxidized to form NiIII species having a N3S2 coordination environment to mimic the active site of the oxidized form of NiSOD (NiSODox). DFT calculations reveal that the oxidized compound has an unpaired electron primarily located in the d z 2 orbital of the NiIII center.

Original languageEnglish
Pages (from-to)6283-6286
Number of pages4
JournalChemistry - A European Journal
Volume20
Issue number21
DOIs
Publication statusPublished - 2014 May 19

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Nickel
Discrete Fourier transforms
Superoxide Dismutase
Catalytic Domain
Ligands
Electrons
Pyridine
Nitrogen
pyridine
perchlorate

Keywords

  • biomimetics
  • catalysis
  • density functional calculations
  • nickel(III) complexes
  • superoxide

ASJC Scopus subject areas

  • Catalysis
  • Organic Chemistry

Cite this

Synthesis and characterization of NiIIIN3S2 complexes as active site models for the oxidized form of nickel superoxide dismutase. / Chiang, Chien Wei; Chu, Yun Li; Chen, Hong Ling; Kuo, Ting Shen; Lee, Way-Zen.

In: Chemistry - A European Journal, Vol. 20, No. 21, 19.05.2014, p. 6283-6286.

Research output: Contribution to journalArticle

Chiang, Chien Wei ; Chu, Yun Li ; Chen, Hong Ling ; Kuo, Ting Shen ; Lee, Way-Zen. / Synthesis and characterization of NiIIIN3S2 complexes as active site models for the oxidized form of nickel superoxide dismutase. In: Chemistry - A European Journal. 2014 ; Vol. 20, No. 21. pp. 6283-6286.
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abstract = "Nickel complexes, [Ni(H2BARTPP)](ClO 4)2 (R=Ph for 1 or iPr for 2), supported by a pentadentate ligand H2BARTPP were synthesized and oxidized to form NiIII species having a N3S2 coordination environment to mimic the active site of the oxidized form of nickel superoxide dismutase (NiSODox). The NiIII species 2+ exhibited a rhombic signal with gvalues 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 2 orbital of the NiIII center, which strongly overlaps with the p z orbital of the axial pyridine nitrogen of H2BA PrTPP. SOD's law: Complexes [Ni(H2BARTPP)] (ClO4)2 (R=Ph or iPr; see structure), supported by a pentadentate ligand H2BARTPP, were synthesized and oxidized to form NiIII species having a N3S2 coordination environment to mimic the active site of the oxidized form of NiSOD (NiSODox). DFT calculations reveal that the oxidized compound has an unpaired electron primarily located in the d z 2 orbital of the NiIII center.",
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AU - Lee, Way-Zen

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