Wagner C C, Ferraresi Curotto V, Pis Diez R, Baran E J
Departamento de Ingeniería Química, Facultad de Ingeniería, Universidad Nacional del Centro de la Provincia de Buenos Aires, 7400, Olavarría, Argentina.
Biol Trace Elem Res. 2008 Apr;122(1):64-72. doi: 10.1007/s12011-007-8060-0. Epub 2008 Jan 29.
Calcium fructoborate samples of composition Ca(C6H10O6BO)2 x 3 x 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.
对组成为Ca(C6H10O6BO)2·3·5H2O的果糖硼酸钙样品进行了化学分析、红外光谱和拉曼光谱以及热分析（热重分析和差示热分析）数据表征。利用密度泛函理论对果糖硼酸根部分的七种不同结构模型进行了理论研究，并从这些计算中得出了最稳定的结构。理论研究结果还有助于改进该化合物振动光谱的归属。
