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Experimental and Theoretical Studies of Calcium Fructoborate

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Abstract

Calcium fructoborate samples of composition Ca(C6H10O6BO)2·3.5H2O were characterized by chemical analysis, infrared and Raman spectroscopy, and thermoanalytical (thermogravimetric and differential thermal analysis) data. Theoretical studies, using density functional theory, were made for seven different structural models of the fructoborate moiety, and the most stable structure could be derived from these calculations. The results of the theoretical study also allow improving the assignment of the vibrational spectra of the compound.

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Acknowledgments

This work has been supported by the Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina (CONICET) and the National University of La Plata. C.C.W., R.P.D., and E.J.B. are members of the Research Career from CONICET whereas V.F.C. is a fellow from CONICET.

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Authors and Affiliations

  1. Departamento de Ingeniería Química, Facultad de Ingeniería, Universidad Nacional del Centro de la Provincia de Buenos Aires, 7400, Olavarría, Argentina

    C. C. Wagner

  2. Centro de Química Inorgánica (CEQUINOR/CONICET,UNLP), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, C. Correo 962, 1900, La Plata, Argentina

    V. Ferraresi Curotto, R. Pis Diez & E. J. Baran

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  1. C. C. Wagner
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  2. V. Ferraresi Curotto
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  3. R. Pis Diez
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  4. E. J. Baran
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Correspondence to E. J. Baran.

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Wagner, C.C., Ferraresi Curotto, V., Pis Diez, R. et al. Experimental and Theoretical Studies of Calcium Fructoborate. Biol Trace Elem Res 122, 64–72 (2008). https://doi.org/10.1007/s12011-007-8060-0

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  • DOI: https://doi.org/10.1007/s12011-007-8060-0

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