title: Novel example of a chain structure formed by 1,4-dioxane and cobalt(II) links. Chain [Co3(mu-OOCCF3)4(mu-H2O)2(OOCCF3)2(H2O)2(C4H8O2)].2C4H8O2.
abstract: The trimer [Co3(mu-OOCCF3)4(mu-H2O)2(OOCCF3)2(H2O)2(C4H8O2)].2C4H8O2. (1) is composed of three tetragonally distorted Co(II) centers bridged by four trifluoroacetates and two bridging water molecules. 1,4-Dioxane is coordinated at a distance of 2.120(3) A from the terminal cobalt Co2; the remaining oxygen of this 1,4-dioxane links the terminal cobalt to a neighbor trimer, forming a one-dimensional chain. The crystal structure displays a network of hydrogen bonds between four noncoordinated 1,4-dioxane molecules and the coordinated terminal water molecules. The magnetic properties of 1 were analyzed with the use of the Hamiltonian including isotropic exchange interactions between real spins of a high-spin Co(II), spin-orbit coupling and a low-symmetry crystal field acting within the (4)T(1g) ground manifold of each cobalt ion. A weak antiferromagnetic exchange interaction between cobalt ions in 1 was found. The results of the magnetic model are in good agreement with the experimental observations.
authors.affiliation: Facultad Ciencias Químicas y Farmacéuticas, CIMAT, Universidad de Chile, Casilla 233, Santiago, Chile. vcalvo@uchile.cl
authors.forename: Víctor
authors.initials: V
authors.lastname: Calvo-Pérez
authors.forename: Sergei
authors.initials: S
authors.lastname: Ostrovsky
authors.forename: Andrés
authors.initials: A
authors.lastname: Vega
authors.forename: Juraj
authors.initials: J
authors.lastname: Pelikan
authors.forename: Evgenia
authors.initials: E
authors.lastname: Spodine
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Haase