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• W2104469585 abstract "Abstract A high‐spin Co II cluster with a rare pentagonal molecular structure and formula [Co 5 (CO 3 ) 2 (bpp) 5 ]ClO 4 ( 1 ; Hbpp is 2,6‐bis(phenyliminomethyl)‐4‐methylphenolate) has been synthesized and characterized by single‐crystal X‐ray diffraction. This topology arises from fusing five [Co 2 (bpp)] moieties in a cyclic manner around two CO 3 2− central ligands, resulting in propeller‐like configuration. The irregular coordination of the carbonate ions to the metal centers results in a combination of coordination numbers (CNs) of the Co II ions of five and six. The bulk magnetization of this complicated magnetically exchanged system has been modeled successfully by employing a matrix diagonalization technique. For this, the combination of S =3/2 ions (CN=5) with ions exhibiting strong spin‐orbit coupling (CN=6) has been considered and a perturbative approach to handle the data in the whole studied range of temperatures (2–300 K) yielding parameters of g and D (for the five‐coordinate Co II ions), of A , κ , λ , and Δ (for the metals with spin‐orbit coupling) and of the exchange constants J . The agreement with results from DFT calculations, also presented here, is remarkable." @default.
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• W2104469585 date "2010-10-13" @default.
• W2104469585 modified "2023-10-18" @default.
• W2104469585 title "Double-CO32− Centered [CoII5] Wheel and Modeling of Its Magnetic Properties" @default.
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• W2104469585 doi "https://doi.org/10.1002/chem.201001418" @default.
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• W2104469585 hasPublicationYear "2010" @default.
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