Two unprecedented families of mono-dimensional complexes were designed using the bis(2-pyridylcarbonyl)aminate (bpca) ligand. The structure of the Cu(bpca)(CN) chain was solved ab initio from X-ray powder diffraction data and refined by Rietveld methods, while the structure of [Cu 1 - xFe x(bpca)](ClO 4) (x = 0, 0.23) (Figure) was elucidated by the more classical X-ray single crystal diffraction technique. The latter chains are the first ones exclusively based on the bpca ligand. Two unprecedented families of bpca-based mono-dimensional complexes Cu(bpca)(X) (X = CN, 1; N 3, 2) and [Cu 1 - xFe x(bpca)](ClO 4) (x = 0, 3; 0.23, 4) were synthesised. The structure of 1 was solved ab initio from X-ray powder diffraction data and refined by Rietveld methods. The complexes 3-4 were characterised by X-ray single crystal diffraction. In 1 the cyano ligand coordinates the metal centres, the Cu centres forming a zigzag 1-D chain along the (0 0 1) direction, while in 3-4, the bpca ligand itself acts as the link towards the metal ions which are arranged in a linear 1-D chain running parallel to the (0 0 1) direction. An infrared spectroscopy study confirmed these coordination modes. The magnetic properties of both chain families were studied. 1-2 do not show significant magnetic interactions, whereas the magnetic behaviour for 3-4 suggests dominant antiferromagnetic interactions between the metal ions within the chains. The magnetic behaviour of 3 was analysed using the Padé approximation of the Bonner-Fisher model for S = 1/2 antiferromagnetic chains. The J value was estimated as 10 K.

“X-ray powder and single crystal structures of two unprecedented bpca based magnetic chains (Hbpca =bis(2- bypiridilcarbonyl)amine)”

COSTANTINO, FERDINANDO;
2005

Abstract

Two unprecedented families of mono-dimensional complexes were designed using the bis(2-pyridylcarbonyl)aminate (bpca) ligand. The structure of the Cu(bpca)(CN) chain was solved ab initio from X-ray powder diffraction data and refined by Rietveld methods, while the structure of [Cu 1 - xFe x(bpca)](ClO 4) (x = 0, 0.23) (Figure) was elucidated by the more classical X-ray single crystal diffraction technique. The latter chains are the first ones exclusively based on the bpca ligand. Two unprecedented families of bpca-based mono-dimensional complexes Cu(bpca)(X) (X = CN, 1; N 3, 2) and [Cu 1 - xFe x(bpca)](ClO 4) (x = 0, 3; 0.23, 4) were synthesised. The structure of 1 was solved ab initio from X-ray powder diffraction data and refined by Rietveld methods. The complexes 3-4 were characterised by X-ray single crystal diffraction. In 1 the cyano ligand coordinates the metal centres, the Cu centres forming a zigzag 1-D chain along the (0 0 1) direction, while in 3-4, the bpca ligand itself acts as the link towards the metal ions which are arranged in a linear 1-D chain running parallel to the (0 0 1) direction. An infrared spectroscopy study confirmed these coordination modes. The magnetic properties of both chain families were studied. 1-2 do not show significant magnetic interactions, whereas the magnetic behaviour for 3-4 suggests dominant antiferromagnetic interactions between the metal ions within the chains. The magnetic behaviour of 3 was analysed using the Padé approximation of the Bonner-Fisher model for S = 1/2 antiferromagnetic chains. The J value was estimated as 10 K.
2005
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11391/128943
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