Crystal structure and magnetic exchange interaction in a binuclear copper(II) schiff base complex with a bridging m-phenylenediamine ligand
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Date
2005
Journal Title
Journal ISSN
Volume Title
Publisher
De Gruyter
Abstract
Condensation of 2-hydroxy-3-methoxybenzaldehyde with m-phenylenediamine (1,3-diaminobenzene) (m-pda) gives the ligand [N,N′-bis(2-hydroxy-3-methoxybenzylidene)-1,3-diaminobenzene] which reacts with cupric acetate to give the complex [Cu2(L-m-pda)2]·2H2O, [L = 2-hydroxy-3- methoxybenzaldehyde)]. The molecular structure of the complex [Cu2(L-m-pda)2]·2H2O has been determined by single-crystal X-ray analysis. (C44H40Cu2N4O8)·2H2O, triclinic, space group P1̄. Two [Cu(L-m-pda)] fragments, related by an inversion center, are connected by m-phenylene groups to form a binuclear unit. The coordination geometry around each copper(II) can be described as a distorted tetrahedron formed by the N2O2 donor set of the Schiff base ligands. The intramolecular Cu···Cu separation is 7.401(6) Å. The magnetic susceptibility of the complex in the 5 - 301 K temperature range can be rationalized by the parameters J = −0.4 cm−1 and g = 2.17. This indicates a weak intramolecular antiferromagnetic interaction. Extended Hückel molecular orbital (EHMO) calculations have been performed in order to gain insight into the molecular orbitals that participate in the super-exchange pathway.
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Keywords
Dinuclear copper(II) complex, Dinükleer bakır (II) kompleksi, Antiferromagnetic interactions, Antiferromanyetik etkileşimler, Super-exchange interactions, Süper değişim etkileşimleri, Schiff base, Schiff bazı, Molecular orbital calculation, Moleküler yörünge hesaplaması
Citation
Zeyrek, C. T. ... [ve arkadaşları]. (2005). Crystal structure and magnetic exchange interaction in a binuclear copper(II) schiff base complex with a bridging m-phenylenediamine ligand. Zeitschrift für Naturforschung B, 60(2), 143-148.