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

The complexes [(FeLX)-X-N2S2] [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 Mossbauer spectra show that all complexes display distinct magnetic anisotropy, which has been rationalized by DFT calculations.

Keywords:

density functional calculations / electronic structure / intermediate spin state / iron(III) / magnetic properties

Source:
Chemistry-A European Journal, 2018, 24, 20, 5091-5094

Publisher:

Wiley-V C H Verlag Gmbh, Weinheim

Funding / projects:

Rational design and synthesis of biologically active and coordination compounds and functional materials, relevant for (bio)nanotechnology (RS-172035)
COST Action ECOSTBio (Explicit Control Over Spin-States in Technology and Biochemistry) including a STSM grant [CM1305, COST-STSM-CM1305-25068]
China Scholarship Council
Deutsche Forschungsgemeinschaft (collaborative DFG/ANR project) [Me1313/14-1]
Serbian-French collaboration project [451-03-39/2016-09/06, 36224WB, ANR-11-LABX-003]

DOI: 10.1002/chem.201705989

ISSN: 0947-6539

PubMed: 29447424

WoS: 000429703700018

Scopus: 2-s2.0-85042682197

[ Google Scholar ]



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TY  - JOUR
AU  - Wang, Lianke
AU  - Zlatar, Matija
AU  - Vlahović, Filip
AU  - Demeshko, Serhiy
AU  - Philouze, Christian
AU  - Molton, Florian
AU  - Gennari, Marcello
AU  - Meyer, Franc
AU  - Duboc, Carole
AU  - Gruden, Maja
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2335
AB  - The complexes [(FeLX)-X-N2S2] [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 Mossbauer spectra show that all complexes display distinct magnetic anisotropy, which has been rationalized by DFT calculations.
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Chemistry-A European Journal
T1  - Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Iron(III) Complexes
VL  - 24
IS  - 20
SP  - 5091
EP  - 5094
DO  - 10.1002/chem.201705989
ER  -

@article{
author = "Wang, Lianke and Zlatar, Matija and Vlahović, Filip and Demeshko, Serhiy and Philouze, Christian and Molton, Florian and Gennari, Marcello and Meyer, Franc and Duboc, Carole and Gruden, Maja",
year = "2018",
abstract = "The complexes [(FeLX)-X-N2S2] [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 Mossbauer spectra show that all complexes display distinct magnetic anisotropy, which has been rationalized by DFT calculations.",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Chemistry-A European Journal",
title = "Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Iron(III) Complexes",
volume = "24",
number = "20",
pages = "5091-5094",
doi = "10.1002/chem.201705989"
}

Wang, L., Zlatar, M., Vlahović, F., Demeshko, S., Philouze, C., Molton, F., Gennari, M., Meyer, F., Duboc, C.,& Gruden, M.. (2018). Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Iron(III) Complexes. in Chemistry-A European Journal
Wiley-V C H Verlag Gmbh, Weinheim., 24(20), 5091-5094.
https://doi.org/10.1002/chem.201705989

Wang L, Zlatar M, Vlahović F, Demeshko S, Philouze C, Molton F, Gennari M, Meyer F, Duboc C, Gruden M. Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Iron(III) Complexes. in Chemistry-A European Journal. 2018;24(20):5091-5094.
doi:10.1002/chem.201705989 .

Wang, Lianke, Zlatar, Matija, Vlahović, Filip, Demeshko, Serhiy, Philouze, Christian, Molton, Florian, Gennari, Marcello, Meyer, Franc, Duboc, Carole, Gruden, Maja, "Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Iron(III) Complexes" in Chemistry-A European Journal, 24, no. 20 (2018):5091-5094,
https://doi.org/10.1002/chem.201705989 . .