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

2018
Authors
Wang, Lianke
Zlatar, Matija

Vlahović, Filip

Demeshko, Serhiy
Philouze, Christian
Molton, Florian

Gennari, Marcello

Meyer, Franc

Duboc, Carole

Gruden, Maja

Article (Published version)

Metadata
Show full item recordAbstract
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 propertiesSource:
Chemistry-A European Journal, 2018, 24, 20, 5091-5094Publisher:
- 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
Collections
Institution/Community
IHTMTY - 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 . .