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.

Graphical abstractTwo 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 full-size imageDownload 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.