Mixed valent/geometry, linear, tetranuclear nickel complex bearing ONO pincer ligand exhibiting hitherto unknown ligation mode
| Autor: | Arumugam Vignesh, N. Dharmaraj, Werner Kaminsky, C. Shalini |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
010405 organic chemistry
Chemistry Ligand Metal ions in aqueous solution chemistry.chemical_element Geometry Triclinic crystal system 010402 general chemistry 01 natural sciences 0104 chemical sciences Inorganic Chemistry Nickel Pentagonal bipyramidal molecular geometry Materials Chemistry Molecule Density functional theory Physical and Theoretical Chemistry Pincer ligand |
| Zdroj: | Polyhedron. 143:157-164 |
| ISSN: | 0277-5387 |
| Popis: | A hitherto unknown linear, tetranuclear nickel(II/III) complex possessing both square-planar and pentagonal bipyramidal geometry around the metal ions was obtained from the reaction of ONO pincer ligand (E)-N′-(2-hydroxybenzylidene)acetohydrazide with [NiCl2(PPh3)2] precursor complex in methanol medium. The novel ONO ligand and its nickel complex were characterized by analytical and spectral data. The identity of the tetranuclear complex crystallized in triclinic crystal system with P 1 ¯ space group was confirmed by single-crystal XRD study. Density Functional Theory (DFT) calculations performed for the optimization of the titled nickel complex by considering the presence as well as the absence of coordinated solvent molecules in the input coordinates revealed that the optimized structures are energetically somewhat disfavored but its formation in the experiment could be attributed to the participation of packing forces that stabilizes the molecule it in the solid state. |
| Databáze: | OpenAIRE |
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