Synthesis, characterization and molecular structures of barium(II) trichloroacetate DME/1,4-dioxane compounds

Two new barium(II) trichloroacetate compounds, [Ba(H2O)(DME)(μ-O2CCCl3)2]n (1) and [{Ba(H2O)2(diox)0.5(μ-O2CCCl3)2}(diox)]n (2) were synthesized and characterized by elemental analyses, physiochemical studies, FT-IR, 1H NMR, thermogravimetric analyses (TG/DTG/DSC) and single crystal X-ray studies. The reaction of hydrated barium(II) trichloroacetate monohydrate with excess DME (1,2-dimethoxyethane) and diox (1,4-dioxane) in methanol at room temperature led to the isolation of the novel compounds 1 and 2, respectively. Bridging trichloroacetate groups are anticipated on the basis of FT-IR studies and this was confirmed by the X-ray studies. Both compounds dissociate to produce ions in water, as shown by molar conductance values. 1H NMR spectroscopy confirms that DME and 1,4-dioxane are coordinated to the metal ion in these compounds. Single crystal X-ray diffraction studies reveal that the barium cation is coordinated to nine O atoms in a deformed coordination polyhedron in both compounds. Structural data of barium(II) trichloroacetates compounds have been obtained for the first time in the present investigation.

Two new barium trichloroacetate DME/1,4-dioxane compounds were synthesized. Bridging trichloroacetate groups result in the formation of polymeric chains. Nine coordination around the barium cation has been observed in both the compounds.Figure optionsDownload as PowerPoint slideHighlights
► Two new barium trichloroacetate DME/1,4-dioxane compounds were synthesized and characterized.
► The single crystal structures of barium trichloroacetate compounds are reported for the first time.
► Nine coordination around a barium cation has been observed in both the compounds in polymeric chains.
► These compounds preferentially decompose into barium chloride.