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Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Iron(III) Complexes
Author(s) -
Wang Lianke,
Zlatar Matija,
Vlahović Filip,
Demeshko Serhiy,
Philouze Christian,
Molton Florian,
Gennari Marcello,
Meyer Franc,
Duboc Carole,
Gruden Maja
Publication year - 2018
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201705989
Subject(s) - electron paramagnetic resonance , anisotropy , crystallography , spin (aerodynamics) , spectral line , ion , chemistry , square pyramidal molecular geometry , magnetic anisotropy , materials science , condensed matter physics , nuclear magnetic resonance , magnetic field , crystal structure , physics , magnetization , organic chemistry , quantum mechanics , astronomy , thermodynamics
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.