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

中自旋铁(III)复合物中磁各向异性起源的实验和理论鉴定

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作者:Lianke Wang, Matija Zlatar, Filip Vlahović, Serhiy Demeshko, Christian Philouze, Florian Molton, Marcello Gennari, Franc Meyer, Carole Duboc, Maja Gruden

Abstract

The complexes [FeLN2S2 X] [in which LN2S2 =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 FeIII 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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