Hexacoordinate high-spin Fe(III) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands

0563756 - FZÚ 2023 RIV GB eng J - Journal Article
Míčová, R. - Bielková, Z. - Rajnák, C. - Titiš, J. - Gembický, M. - Renz, F. - Malina, O. - Samoľová, Erika - Nováčiková, J. - Boča, R.
Hexacoordinate high-spin Fe(III) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands.
New Journal of Chemistry. Roč. 46, č. 37 (2022), s. 18083-18089. ISSN 1144-0546. E-ISSN 1369-9261
Institutional support: RVO:68378271
Keywords : state perturbation theory * reductive amination * aldehydes * formulation * crossover ketones
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1039/d2nj02294j

A new series of Fe(III) mononuclear complexes of the [Fe(Lam)(X)] type {where X = Cl (1), NCSe (2), NCS (3), N3 (4), and NCO (5)} have been prepared and characterized in detail. An untraditional pentadentate amino-ligand Lam was prepared by a reductive amination of an imino precursor Lim. The DC magnetic data confirm a high-spin state for 1–5 over the whole temperature scale, however, some significant differences in the magnetic data are observed. The spin Hamiltonian with the isotropic Zeeman term has been utilized for describing the zero-field splitting (ZFS) in 2, 3 and 5. In 1 and 4, the fo rmation of exchange coupled dimers is evident with the isotropic exchange coupling of antiferromagnetic nature. The zero-field splitting D parameters adopt small values: 1.15 (1), -0.74 (2), -1.7 (3), 1.5 (4) and -0.62 cm-1 (5) which match the theoretical predictions.
Permanent Link: https://hdl.handle.net/11104/0335566