Bhattacharyya, A., Bauzá, A., Sproules, S. , Natrajan, L. S., Frontera, A. and Chattopadhyay, S. (2017) A polynuclear and two dinuclear copper(II) Schiff base complexes: Synthesis, characterization, self-assembly, magnetic property and DFT study. Polyhedron, 137, pp. 332-346. (doi: 10.1016/j.poly.2017.08.010)
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Abstract
Three elongated (4+1) square pyramidal copper(II) complexes, [Cu2(L)2(μ1,1-N3)2]⋅H2O (1), [Cu2(L)2(μ1,1-NCO)2] (2) and [Cu(L)(μ1,5-dca)]n (3) [HL = 1((2-(methylamino)ethylimino)methyl)naphthalen-2-ol and dca = dicyanamide], have been synthesized using a tridentate N2O donor Schiff base ligand (HL) and characterized. Complexes 1 and 2 are centrosymmetric dimers in which copper(II) centres are connected by asymmetric double end on pseudohalide bridges. Complex 3 features a 1D zigzag chain in which copper(II) centres are connected by end to end dca bridges. Variable temperature (2-300K) magnetic susceptibility measurements indicate the presence of antiferromagnetic exchange coupling between copper(II) centres in complexes 1 (J = -2.313 cm-1) and 3 (J = -0.344 cm-1), whereas complex 2 shows ferromagnetic exchange coupling between copper(II) centres (J = 0.513 cm-1). DFT calculations also corroborate the data. The fluid solution EPR spectra recorded at 293 K are typical of copper(II) species. Significant supramolecular interactions are explored using high level DFT calculations (BP86-D3/def2-TZVP) and characterized by Bader’s theory of “atoms-in-molecules”.
Item Type: | Articles |
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Status: | Published |
Refereed: | Yes |
Glasgow Author(s) Enlighten ID: | Sproules, Dr Stephen |
Authors: | Bhattacharyya, A., Bauzá, A., Sproules, S., Natrajan, L. S., Frontera, A., and Chattopadhyay, S. |
College/School: | College of Science and Engineering > School of Chemistry |
Journal Name: | Polyhedron |
Publisher: | Elsevier |
ISSN: | 0277-5387 |
ISSN (Online): | 0277-5387 |
Published Online: | 19 August 2017 |
Copyright Holders: | Copyright © 2017 Elsevier Ltd. |
First Published: | First published in Polyhedron 137:332-346 |
Publisher Policy: | Reproduced in accordance with the publisher copyright policy |
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