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A mixed phenoxo and end-on azide bridged dinuclear copper(II) Schiff base complex: synthesis, structure, magnetic characterization and DFT study

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Abstract

A dinuclear copper(II) complex, [(H2O)Cu(L)(μ1,1-N3)Cu(L)]ClO4 [HL = (2-(2-(ethylamino)ethylimino)methyl)-6-ethoxyphenol] has been synthesized and characterized by spectral and elemental analyses. The structure has been confirmed by single crystal X-ray diffraction. Variable temperature (2–300 K) magnetic susceptibility measurements indicate the presence of antiferromagnetic exchange coupling between the copper(II) centers (J = −46.18 cm−1), as also corroborated by DFT calculations (Jtheo = −45.98 cm−1). The calculated spin densities at the copper(II) centers were +0.56 and −0.61, confirming that they are the magnetic centers. An experimental absorption spectrum of the complex has been compared with a normalized absorption spectrum obtained theoretically. Supramolecular interactions in the solid state of the complex have also been characterized with the help of Hirshfeld analysis and the AIM theory.

Graphical abstract: A mixed phenoxo and end-on azide bridged dinuclear copper(ii) Schiff base complex: synthesis, structure, magnetic characterization and DFT study

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Publication details

The article was received on 26 May 2018, accepted on 02 Jul 2018 and first published on 02 Jul 2018


Article type: Paper
DOI: 10.1039/C8NJ02612B
Citation: New J. Chem., 2018, Advance Article
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    A mixed phenoxo and end-on azide bridged dinuclear copper(II) Schiff base complex: synthesis, structure, magnetic characterization and DFT study

    S. Khan, S. Herrero, R. González-Prieto, Michael. G. B. Drew, S. Banerjee and S. Chattopadhyay, New J. Chem., 2018, Advance Article , DOI: 10.1039/C8NJ02612B

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