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RESEARCH PRODUCT
Stepwise formation of a pentanuclear Ni4Cu heterometallic complex exhibiting a vertex-sharing defective double-cubane core and diphenoxo- and phenoxo/azide bridging groups: a magnetostructural and DFT theoretical study.
Babulal DasPijush MalpahariaAntonio J. MotaEnrique ColacioFrancesc LloretKoushik PramanikSwapan K. Chandrasubject
AzidesMagnetic Resonance SpectroscopyMolecular StructureChemistryStereochemistryMetal ions in aqueous solutionStereoisomerismCrystallography X-RayLigandsVertex (geometry)Inorganic Chemistrychemistry.chemical_compoundCrystallographyFerromagnetismCubaneCoordination ComplexesNickelTripodal ligandQuantum TheoryDensity functional theoryAzidePhysical and Theoretical ChemistryGround stateCopperdescription
Sequential reaction of a N5O3 octadentate tripodal ligand with Ni(2+) and subsequently with Cu(2+) and azide ligand afforded the first example of a heterobridged (phenoxo/μ(1,1)-azido) pentanuclear heterometallic (Ni4Cu) compound, which exhibits a centrosymmetric vertex-sharing defective double-cubane structure. The study of the magnetic properties reveals that the compound shows ferromagnetic interaction interactions, leading to an S = 9/2 spin ground state. Density functional theory calculations on the X-ray structure and model compounds predict ferromagnetic interactions through the magnetic exchange pathways involving each couple of metal ions.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2013-03-13 | Inorganic chemistry |