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Title: | Structure, DFT Calculations, and Magnetic Characterization of Coordination Polymers of Bridged Dicyanamido-Metal(II) Complexes |
Author: | Mautner, Franz A. Jantscher, Patricia Fischer, Roland C. Torvisco, Ana Vicente Castillo, Ramón Karsili, Tolga N. V. Massoud, Salah S. |
Keywords: | Cobalt Polímers Estructura cristal·lina (Sòlids) Cobalt Polymers Layer structure (Solids) |
Issue Date: | 2-Jul-2019 |
Publisher: | MDPI |
Abstract: | Three coordination polymers of metal(II)-dicyanamido (dca) complexes with 4-methoxypyridine-N-oxide (4-MOP-NO); namely, catena-[Co(µ1,5-dca)2(4-MOP-NO)2] (1), catena-[Mn(µ1,5-dca)2(4-MOP-NO)2] (2), catena-[Cd(µ1,5-dca)2(4-MOP-NO)2] (3), and the mononuclear [Cu(κ1dca)2(4-MOP-NO)2] (4), were synthesized in this research. The complexes were analyzed by single crystal X-ray diffraction as well as spectroscopic methods (UV/vis, IR). The polymeric 1-D chains in complexes 1-3 were achieved by the doubly µ1,5-bridging dca ligands and the O-donor atoms of two axial 4-MOP-NO molecules in trans configuration around the distorted M(II) octahedral. On the other hand, the two "trans-axial" pyridine-N-oxide molecules in complexes 2 and 3 display opposite orientation (s-trans). The DFT (density functional theory) computational studies on the complexes 1-3 were consistent with the experimentally observed crystal structures. Compounds 1 and 2 display weak antiferromagnetic coupling between metal ions (J = −10.8 for 1 and −0.35 for 2). |
Note: | Reproducció del document publicat a: https://doi.org/10.3390/magnetochemistry5030041 |
It is part of: | Magnetochemistry, 2019, vol. 5, num. 3, p. 41 |
URI: | http://hdl.handle.net/2445/176307 |
Related resource: | https://doi.org/10.3390/magnetochemistry5030041 |
ISSN: | 2312-7481 |
Appears in Collections: | Articles publicats en revistes (Química Inorgànica i Orgànica) |
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