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Magnetostructural Studies on Zigzag One-Dimensional Coordination Polymers Formed by Tetraamidatodiruthenium(II,III) Paddlewheel Units Bridged by SCN Ligands
Open AccessArticle

Structure, DFT Calculations, and Magnetic Characterization of Coordination Polymers of Bridged Dicyanamido-Metal(II) Complexes

1
Institut für Physikalische and Theoretische Chemie, Technische Universität Graz, A-8010 Graz, Austria
2
Institut für Anorganische Chemie, Technische Universität Graz, Stremayrgasse 9/V, A-8010 Graz, Austria
3
Departament de Quimica Inorganica I Organica, Universitat de Barcelona, Marti I Franques 1-11, E-31321 Barcelona, Spain
4
Department of Chemistry, University of Louisiana at Lafayette, P.O. Box 43700, Lafayette, LA 70504, USA
*
Authors to whom correspondence should be addressed.
Magnetochemistry 2019, 5(3), 41; https://doi.org/10.3390/magnetochemistry5030041
Received: 23 April 2019 / Revised: 8 June 2019 / Accepted: 21 June 2019 / Published: 2 July 2019
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 13 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 13 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). View Full-Text
Keywords: cobalt; manganese; cadmium; dicyanamide; coordination polymer; crystal structure; magnetic properties cobalt; manganese; cadmium; dicyanamide; coordination polymer; crystal structure; magnetic properties
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MDPI and ACS Style

Mautner, F.A.; Jantscher, P.; Fischer, R.C.; Torvisco, A.; Vicente, R.; Karsili, T.N.V.; Massoud, S.S. Structure, DFT Calculations, and Magnetic Characterization of Coordination Polymers of Bridged Dicyanamido-Metal(II) Complexes. Magnetochemistry 2019, 5, 41.

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