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Synthesis, crystal structure, spectroscopic and magnetic properties of an unprecedented tridimensional Cu(II) coordination compound of 1,2-bis(1,2,4-triazol-4-yl)ethane

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Garcia, Yann [UCL] van Koningsbruggen, Petra J. [] Kooijman, Huub [] Spek, Anthony L. [] Haasnoot, Jaap G. [] Kahn, Olivier []

A novel three-dimensional copper(II) compound of the formula [Cu3(btre)5(H2O)2](ClO4)6·H2O (btre = 1,2-bis(1,2,4-triazol-4-yl)ethane) has been synthesized. The structure has been solved at 150 K by single-crystal X-ray analysis. The compound [C30H44Cu3N30O2·6(ClO4)·H2O] crystallizes in the triclinic space group P1bar with a = 12.488(1), b = 13.195(1), c = 19.756(2) Å, α = 78.959(8), β = 84.553(8), γ = 63.869(7)°, V = 2868.4(5) Å3, Z = 2 (trinuclear CuII units), 6484 reflections [I > 4σ(I)], RF = 0.0581, wR2 = 0.1214. The structure of this coordination polymer consists of a three-dimensional network built up from linear trinuclear CuII cations of formula [Cu3(btre)5(H2O)2]6+. This crystallographically independent unit comprises a linear array of three CuII ions linked by triple N1,N2-1,2,4-triazole bridges, yielding Cu1–Cu2 = 3.893(1) Å and Cu2–Cu3 = 3.889(1) Å. These linear trinuclear CuII units are linked by various pathways involving tridentate and tetradentate bridging btre ligands, which yields an unprecedented three-dimensional network. The CuII ions are weakly antiferromagnetically coupled with J = –1.01(2) cm–1 (based on the Hamiltonian: H = –J[SCu1·SCu2 + SCu2·SCu3] using the expression for the molar magnetic susceptibility S = 1/2 of a linear trinuclear system). The nature and the magnitude of the antiferromagnetic exchange have been discussed on the basis of the structural features.

Document type Article de périodique (Journal article)
Publication date 2000
Language Anglais
Journal information "European Journal of Inorganic Chemistry" - Vol. -, no. -, p. 307-314 and 575 (2000)
Peer reviewed yes
issn 1434-1948
Publication status Publié
Affiliations University of Mainz (Germany) - Inorganic and Analytical Chemistry
UCL - Autre
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Bibliographic reference Garcia, Yann ; van Koningsbruggen, Petra J. ; Kooijman, Huub ; Spek, Anthony L. ; Haasnoot, Jaap G. ; et. al. Synthesis, crystal structure, spectroscopic and magnetic properties of an unprecedented tridimensional Cu(II) coordination compound of 1,2-bis(1,2,4-triazol-4-yl)ethane. In: European Journal of Inorganic Chemistry, Vol. -, no. -, p. 307-314 and 575 (2000)
Permanent URL http://hdl.handle.net/2078/92721