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
| Autor: | Babulal Das, Pijush Malpaharia, Antonio J. Mota, Enrique Colacio, Francesc Lloret, Koushik Pramanik, Swapan K. Chandra |
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| Rok vydání: | 2013 |
| Předmět: |
Azides
Magnetic Resonance Spectroscopy Molecular Structure Chemistry Stereochemistry Metal ions in aqueous solution Stereoisomerism Crystallography X-Ray Ligands Vertex (geometry) Inorganic Chemistry chemistry.chemical_compound Crystallography Ferromagnetism Cubane Coordination Complexes Nickel Tripodal ligand Quantum Theory Density functional theory Azide Physical and Theoretical Chemistry Ground state Copper |
| Zdroj: | Inorganic chemistry. 52(7) |
| ISSN: | 1520-510X |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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