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Issue 11, 2012
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Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies

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Abstract

Transition metal complexes of iron(II), cobalt(II), nickel(II), copper(II) and zinc(II) with a plane, super rigid ligand, 1,13,14-triaza-dibenz[a,j]anthracene (L), [M2L4](ClO4)4 (M = Fe, Co, Ni, Cu, Zn), were synthesized and their magnetic properties were studied. All complexes are dinuclear, tetracationic complexes bridged by four tridentate ligands. In a complex each L coordinates to two metal atoms with two nitrogen atoms chelating to one metal and the third nitrogen atom mono-coordinating to another metal. Crystal structure analysis indicated that the molecular structures of the five complexes are essentially the same despite significant distortion from the Jahn–Teller effect of the copper complex. The Cu–Cu distance is 2.907(1) Å, and all other M–M distances are ca. 3.3 Å. Antiferromagnetic couplings were observed for the Fe, Co, Ni and Cu complexes. The exchange parameters were J = −6 and −129 cm−1 for Ni and Cu complexes, respectively. The mechanism was discussed by spin-polarization, superexchange coupling and DFT calculations. The J value obtained from the density functional B3LYP calculations is in good agreement with the experimentally determined value.

Graphical abstract: Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies

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Publication details

The article was received on 30 May 2012, accepted on 13 Aug 2012 and first published on 15 Aug 2012


Article type: Paper
DOI: 10.1039/C2NJ40452D
Citation: New J. Chem., 2012,36, 2340-2346
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    Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies

    W. Wang, C. Hsieh, R. H. Ismayilov, C. Hsu, I. P. Liu, Y. Liu, G. Lee and S. Peng, New J. Chem., 2012, 36, 2340
    DOI: 10.1039/C2NJ40452D

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