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An approach to the structure and spectra of copper barbiturate trihydrate

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Abstract

In the neutral title complex [Cu(C4N2H3)2(H2O)3] or [Cu(BBR)2(H2O)3] (BBR = Barbiturate), the CuII ion, in the slightly distorted square-pyramidal geometry, is coordinated by two O atoms of the two monodentate barbiturates and three O atoms of three water ligands. The average bond length of Cu—O (BBR) is 1.981(5) Å and the average bond length of Cu—O (H2O) at the basal sites is 1.94(5) Å, i.e. much shorter than that of Cu—O (H2O) [2.175(11) Å]. The crystal structure is characterized by an extensive network of hydrogen bonds in which each [Cu(BBR)2(H2O)3] entity links to six adjacent [Cu(BBR)2(H2O)3] by O(C=O) ··· H—O(H2O) bonds. Tautomerism in the coordination process for BBR was found from the crystal structure and i.r. spectral analysis. The interaction of CuII and BBR in aqueous solution was also investigated by electronic spectra and electrochemical method. It was observed that the copper ion could not only form the [Cu(BBR)2(H2O)3] complex in aqueous but also catalyze the decomposition of BBR at pH 1.1.

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Xiong, Y., He, C., An, TC. et al. An approach to the structure and spectra of copper barbiturate trihydrate. Transition Metal Chemistry 28, 69–73 (2003). https://doi.org/10.1023/A:1022592701631

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