A new tetranuclear copper(II) complex with oximate bridges: structure, magnetic properties and DFT study

Giri, S., Maity, D., Godsell, J. F., Roy, S., Drew, M. G. B., Ghosh, A., Mukhopadhyay, G. and Saha, S. K. (2011) A new tetranuclear copper(II) complex with oximate bridges: structure, magnetic properties and DFT study. Inorganica Chimica Acta, 377 (1). pp. 99-104. ISSN 0020-1693 doi: 10.1016/j.ica.2011.07.048

Abstract/Summary

A new tetranuclear complex, [Cu4L4](ClO4)4·2H2O (1), has been synthesized from the self-assembly of copper(II) perchlorate and the tridentate Schiff base ligand (2E,3E)-3-(2-aminopropylimino) butan-2-one oxime (HL). Single-crystal X-ray diffraction studies reveal that complex 1 consists of a Cu4(NO)4 core where the four copper(II) centers having square pyramidal environment are arranged in a distorted tetrahedral geometry. They are linked together by a rare bridging mode (μ3-η1,η2,η1) of oximato ligands. Analysis of magnetic susceptibility data indicates moderate antiferromagnetic (J1 = −48 cm−1, J2 = −40 cm−1 and J3 = −52 cm−1) exchange interaction through σ-superexchange pathways (in-plane bridging) of the oxime group. Theoretical calculations based on DFT technique have been used to obtain the energy states of different spin configurations and estimate the coupling constants and to understand the exact magnetic exchange pathways.

Item Type	Article
URI	https://reading-clone.eprints-hosting.org/id/eprint/30398
Item Type	Article
Refereed	Yes
Divisions	Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
Uncontrolled Keywords	Tetranuclear copper complex; Main group; Oximato; Magnetic property; DFT calculations
Publisher	Elsevier
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