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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

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To link to this item 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
Refereed:Yes
Divisions:Faculty of Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
ID Code:30398
Uncontrolled Keywords:Tetranuclear copper complex; Main group; Oximato; Magnetic property; DFT calculations
Publisher:Elsevier

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