Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Iron(III) Complexes

The complexes [FeL(N2S2)X] [in which L(N2S2)=2,2′‐(2,2′‐bipryridine‐6,6′‐diyl)bis(1,1′‐diphenylethanethiolate) and X=Cl, Br and I], characterized crystallographically earlier and here (Fe(L)Br), reveal a square pyramidal coordinated Fe(III) ion. Unusually, all three complexes have intermediate spin...

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Detalles Bibliográficos
Autores principales: Wang, Lianke, Zlatar, Matija, Vlahović, Filip, Demeshko, Serhiy, Philouze, Christian, Molton, Florian, Gennari, Marcello, Meyer, Franc, Duboc, Carole, Gruden, Maja
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2018
Materias:
Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5969241/
https://www.ncbi.nlm.nih.gov/pubmed/29447424
http://dx.doi.org/10.1002/chem.201705989
Descripción
Sumario:The complexes [FeL(N2S2)X] [in which L(N2S2)=2,2′‐(2,2′‐bipryridine‐6,6′‐diyl)bis(1,1′‐diphenylethanethiolate) and X=Cl, Br and I], characterized crystallographically earlier and here (Fe(L)Br), reveal a square pyramidal coordinated Fe(III) ion. Unusually, all three complexes have intermediate spin ground states. Susceptibility measurements, powder cw X‐ and Q‐band EPR spectra, and zero‐field powder Mössbauer spectra show that all complexes display distinct magnetic anisotropy, which has been rationalized by DFT calculations.

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