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The structure, magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N′) double bridged dicopper(II) complex

Khadir, N ; Sharif University of Technology | 2015

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  1. Type of Document: Article
  2. DOI: 10.1039/c4dt03322a
  3. Publisher: Royal Society of Chemistry , 2015
  4. Abstract:
  5. A new binuclear copper(ii) complex, namely [Cu2L(pz)(DMSO)], where L = 2,6-bis[(2-phenoxy)iminomethyl]-4-methylthiophenolate(3-) and pz = pyrazolate ligand, has been synthesized by a one-pot synthesis involving copper(ii) acetate monohydrate, the S-protected ligand precursor 2-(N,N-dimethylthiocarbamato)-5-methylisophthalaldehyde di-2′-hydroxy anil, (I), and pyrazole, in which a metal-promoted S-deprotection reaction occurs during the formation of the complex. This was characterized by routine physicochemical studies, single crystal X-ray diffraction and electron paramagnetic resonance (EPR) techniques. The structure analysis reveals that there are copper centres in two different environments, a slightly distorted square planar and a distorted square-pyramidal, arranged in binuclear units. The EPR study of these binuclear units performed at 9.4 GHz in the temperature range between 4 and 293 K shows an antiferromagnetic interaction between CuII ions, and allows evaluating g factors gx = 2.068(1), gy = 2.091(1) and gz = 2.165(1), with = 2.108(1), an exchange coupling parameter J0 = -26(1) cm-1 (defined as), and a zero field splitting of the ground triplet state described by D = 86(2) × 10-4 cm-1 and E = -48(3) × 10-4 cm-1. These results are discussed and compared with the existing literature
  6. Keywords:
  7. Chelation ; Electron spin resonance spectroscopy ; Ligands ; Magnetic resonance ; Magnetism ; Paramagnetic resonance ; Single crystals ; Synthesis (chemical) ; X ray diffraction ; Antiferro-magnetic interactions ; Coupling parameters ; Deprotection reaction ; Dicopper complexes ; Electron paramagnetic resonances (EPR) ; Physicochemical studies ; Single crystal x-ray diffraction ; Zero-field splittings ; Copper compounds ; Copper ; Pyrazole derivative ; Chemical structure ; Chemistry ; Conformation ; Electron spin resonance ; X ray crystallography ; Crystallography, X-Ray ; Magnetic Phenomena ; Models, Molecular ; Molecular Conformation ; Organometallic Compounds ; Pyrazoles
  8. Source: Dalton Transactions ; Volume 44, Issue 5 , Dec , 2015 , Pages 2431-2438 ; 14779226 (ISSN)
  9. URL: http://pubs.rsc.org/en/Content/ArticleLanding/2015/DT/C4DT03322A#!divAbstract