Structural and magnetic susceptibility study of an octanuclear MnIII-oxo-pyrazolido complex. (15th July 2018)

• Record Type: Journal Article
• Authors: Babic-Samardzija, Ksenija; Baran, Peter; Boča, Roman; Herchel, Radovan; Raptis, Raphael G.; Vélez, Carmen L.
• Is Part Of: Polyhedron. Volume 149(2018)
• Page Start: 142
• Page End: 147
• Publication Date: 2018-07-15
• Subjects: Polynuclear complex -- Manganese(III) -- Magnetic susceptibility -- DFT calculations -- Pyrazolido ligand; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2018.04.033
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: The analysis of magnetic properties of a new bimodal octanuclear Mn III -oxo complex supported by pyrazolido ligands was accomplished by DFT calculations and the fitting its magnetic susceptibility data to a model requiring four isotropic magnetic exchange interactions. Abstract: A novel octanuclear Mn III bimodal motif, {3 2 .4}{3 4 .4 6 }, has been recognized in the crystal structure of [Mn III 8 (μ3 -O)4 (μ-pz)8 (μ-OMe)4 (OMe)4 ] (2 ). Its magnetic analysis, by fitting magnetic susceptibility data, guided by DFT calculations, has revealed both strong ferromagnetic (+7.6 cm −1 ) and antiferromagnetic exchange (−9.3 cm −1 ) between Mn III centers of the inner Mn4 O4 -cubane core and antiferromagnetic exchange (−8.4 cm −1 and −0.08 cm −1 ) between the four cubane and four outer Mn centers, resulting in a diamagnetic ground state.