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
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