Synthesis, structural and DFT analysis of a binuclear nickel(II) complex with the 1,4-bis[2-[2-(diphenylphosphino)benzylidene]]phthalazinylhydrazone ligand
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Kyne, Sara H.
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In this work we present the synthesis, and experimental and theoretical analysis of a binuclear nickel(II) complex coordinated to a new phthalazine dihydrazone-based ligand. Single-crystal X-ray diffraction analysis of the metal complex shows that the coordination geometry around each nickel(II) atom is distorted octahedral. DFT calculations predict that the magnetic exchange coupling constant of the binuclear nickel(II) complex is predominantly anti-ferromagnetic.
Keywords:Binuclear complex / Density functional theory / Magnetic properties / X-ray structure determination
Source:Monatshefte fur Chemie, 2019, 150, 7, 1241-1248
- Springer-Verlag GmbH Austria
- Rational design and synthesis of biologically active and coordination compounds and functional materials, relevant for (bio)nanotechnology (RS-172035)
- Structure-properties relationships of natural and synthetic molecules and their metal complexes (RS-172017)
- Magbiovin project (FP7-ERAChairs-Pilot Call-2013, Grant agreement: 621375)
- Supplementary material: http://cherry.chem.bg.ac.rs/handle/123456789/3317