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A New linear double phenoxide-bridged trinuclear Cu(II) Schiff base complex: synthesis, crystallographic elucidation, magneto-structural correlation and DFT study

Saha, Sandeepta and Sasmal, Ashok and Choudhury, Chirantan Roy and Gómez-Garcia, Carlos J. and Garribba, Eugenio and Mitra, Samiran (2014) A New linear double phenoxide-bridged trinuclear Cu(II) Schiff base complex: synthesis, crystallographic elucidation, magneto-structural correlation and DFT study. Polyhedron, Vol. 69 , p. 262-269. ISSN 0277-5387. eISSN 1873-3719. Article.

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DOI: 10.1016/j.poly.2013.12.006

Abstract

The tetradentate (ONNO) donor Schiff base ligand LH2, derived from the condensation of salicylaldehyde and 1,3-diaminopropane, has been synthesized and reacted with CuBr2 to yield a trinuclear complex with the molecular formula [Cu3L2Br2]. Single crystal X-ray diffraction study reveals that the two terminal copper atoms adopt a square pyramidal geometry, whereas the central copper atom, situated at the inversion centre, is surrounded by four phenoxide oxygen atoms in a square planar fashion. Variable temperature magnetic susceptibility measurement study shows strong antiferromagnetic intra-trimer interactions between the copper centers with a J value of −302 cm−1. EPR study of the complex depicts that, due to the exchange coupling between the copper ions, the EPR spectra were unresolved, having very broad resonances with g = 2.133. A theoretical DFT calculation was also carried out to supplement the experimental results.

Item Type:Article
ID Code:9857
Status:Published
Refereed:Yes
Uncontrolled Keywords:Tetradentate Schiff base, trinuclear copper complex, X-ray study, antiferromagnetic interaction, EPR study, DFT calculation
Subjects:Area 03 - Scienze chimiche > CHIM/03 Chimica generale e inorganica
Divisions:001 Università di Sassari > 01-a Nuovi Dipartimenti dal 2012 > Chimica e Farmacia
Publisher:Elsevier Science
ISSN:0277-5387
eISSN:1873-3719
Copyright Holders:© 2013 Elsevier Ltd. All rights reserved
Deposited On:09 Jun 2014 11:39

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