INVESTIGADORES
PIS DIEZ Reinaldo
artículos
Título:
Experimental and Theoretical Studies of Calcium Fructoborate
Autor/es:
WAGNER, C.; V. FERRARESI CUROTTO; REINALDO PIS DIEZ; ENRIQUE J BARAN
Revista:
Biological Trace Element Research
Editorial:
Springer
Referencias:
Año: 2008 vol. 122 p. 64 - 72
ISSN:
0163-4984
Resumen:
Calcium fructoborate samples of composition Ca(C6HlO06BO)2·3.5H20 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.
