title: New mononuclear Cu(II) complexes and 1D chains with 4-amino-4H-1,2,4-triazole.
abstract: The crystal structures of two mononuclear Cu(II) NH2trz complexes [Cu(NH2trz)4(H2O)](AsF6)2 (I) and [Cu(NH2trz)4(H2O)](PF6)2 (II) as well as two coordination polymers [Cu(μ2-NH2trz)2Cl]Cl∙H2O (III) and [Cu(μ2-NH2trz)2Cl] (SiF6)0.5∙1.5H2O (IV) are presented. Cationic 1D chains with bridging bis-monodentate μ2-coordinated NH2trz and bridging μ2-coordinated chloride ligands are present in III and IV. In these coordination polymers, the Cu(II) ions are strongly antiferromagnetically coupled with J=-128.4 cm(-1) for III and J=-143 cm(-1) for IV (H=-JΣSiSi+1), due to the nature of the bridges between spin centers. Inter-chain interactions present in the crystal structures were taken into consideration, as well as g factors, which were determined experimentally, for the quantitative modeling of their magnetic properties.
authors.affiliation: Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain, Molecules, Solids and Reactivity (IMCN/MOST), Place L. Pasteur, 1, Louvain-la-Neuve 1348, Belgium. yann.garcia@uclouvain.be.
authors.forename: Marinela M
authors.initials: MM
authors.lastname: Dîrtu
authors.forename: Yves
authors.initials: Y
authors.lastname: Boland
authors.forename: Damien
authors.initials: D
authors.lastname: Gillard
authors.forename: Bernard
authors.initials: B
authors.lastname: Tinant
authors.forename: Koen
authors.initials: K
authors.lastname: Robeyns
authors.forename: Damir A
authors.initials: DA
authors.lastname: Safin
authors.forename: Eamonn
authors.initials: E
authors.lastname: Devlin
authors.forename: Yiannis
authors.initials: Y
authors.lastname: Sanakis
authors.forename: Yann
authors.initials: Y
authors.lastname: Garcia
mesh_terms: D056831:Coordination Complexes / Q000138:chemical synthesis / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008280:Magnetics; D008968:Molecular Conformation; D013696:Temperature; D014230:Triazoles / Q000138:chemical synthesis / Q000737:chemistry*
chemical_list: D056831:Coordination Complexes; D014230:Triazoles; C045575:1,2,4-triazole; D003300:Copper