Articulo
Experimental and Theoretical Studies of Calcium Fructoborate
Registro en:
issn:0163-4984
issn:1559-0720
Autor
Wagner, Claudia Cecilia
Ferraresi Curotto, Verónica
Pis Diez, Reinaldo
Baran, Enrique José
Institución
Resumen
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. Facultad de Ciencias Exactas Centro de Química Inorgánica