Inorganica Chimica Acta

ISSN: 0020-1693
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Datasets associated with articles published in Inorganica Chimica Acta
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  • Geometry optimization, thermochemical analysis and natural bond orbital analysis of bimetallic HXTA complexes at b3lyp/6-311++g(d,p)
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  • Primary 19F-NMR data for metal competition experiments. See tables S4, S8, and S12 in Supporting Information
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  • Data used for preparation of figures in the manuscript and a particular rate constants calculated from kinetic runs.
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    • Tabular Data
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  • The data include: the original single-crystal crystal data: om.ls, om.p4p, om.raw; the original data of IR, TG, UV-Vis, XRD and fluorescence spectroscopy.
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  • The added data contain Cif and CheckCif files.
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    • Document
    • Text
  • Excel spreadsheets used for the calculation of half-wave potentials and peak potential differences relative to the ferrocenium/ferrocene couple, as well as Randles-Sevcik plots of peak currents vs. square root of sweep rate.
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    • Tabular Data
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  • Four binuclear diketonate complexes of boron difluoride have been prepared. Ob-tained complexes contain the following pairs of ligands connected through a sulfur atom with their central carbon atoms: acetylacetone-acetylacetone, acetylacetone-acetoacetic ester, acetylacetone-dibenzoylmethane, acetylacetone-benzoylacetone. Molecular and crystal structure have been identified for three complexes. Their structure is similar to the one of aromatic sulfides. Effect of γ-substituents on chelate cycle structure and on the substituents next to β-carbon atoms has been discussed.
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  • Spectroscopic data, biological data
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  • The development of an efficient method for the de-halogenation of alkyl halides is an essential step towards the elimination of these pollutants from the environment. Here we show that entrapment of an electro-catalyst in sol-gel electrodes yields efficient electrodes for this process. In this study Cu(1,4,8,11-tetra-aza-cyclo-tetra-decane)2+ was used as the active catalyst in the de-chlorination of CCl3CO2-. The major electro-catalytic product is oxalate while a minor product, depending on experimental conditions, is either glyoxalate or acetate. The efficiency of the electro-catalytic process depends on the nature of the precursors used to prepare the sol-gel matrix. The observed electro-catalytic current decreases when cyclic voltammetry is performed at high scan rates. This surprising result indicates that the mechanism of the electro-catalytic process is dependent on the scan rate. Plausible mechanisms at low and high scan rates are proposed.
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