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An octahedral nickel(II) complex of a hexadentate N2O2S2 thioether ligand: synthesis, characterization, X-ray and electronic structure
- Source :
- Transition Metal Chemistry. 41:849-856
- Publication Year :
- 2016
- Publisher :
- Springer Science and Business Media LLC, 2016.
-
Abstract
- A hexadentate dibasic thioether N2O2S2 donor ligand (H 2 L) and its octahedral nickel(II) complex, [Ni(L)] have been synthesized and characterized by physicochemical and spectroscopic techniques. The structures of both H 2 L and its nickel complex were confirmed by single-crystal X-ray diffraction studies. The cyclic voltammogram of the complex shows a quasi-reversible Ni(II)/Ni(III) oxidation couple (E 1/2 = 0.88 V) along with a ligand-based reduction (E 1/2 = −0.83 V). The electronic structures and electrochemical properties have been interpreted with the help of DFT calculations. The electronic transitions as calculated by TDDFT/CPCM method are used to assign the UV–Vis absorption bands.
- Subjects :
- Dibasic acid
010405 organic chemistry
Ligand
Inorganic chemistry
Metals and Alloys
chemistry.chemical_element
Time-dependent density functional theory
Electronic structure
010402 general chemistry
01 natural sciences
0104 chemical sciences
Inorganic Chemistry
Nickel
chemistry.chemical_compound
Crystallography
Octahedron
chemistry
Thioether
Materials Chemistry
Organometallic chemistry
Subjects
Details
- ISSN :
- 1572901X and 03404285
- Volume :
- 41
- Database :
- OpenAIRE
- Journal :
- Transition Metal Chemistry
- Accession number :
- edsair.doi...........800944ce228c4b3c99f16788d0842ea0