CEQUINOR   05415
CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Unidad Ejecutora - UE
artículos
Título:
Experimental and Theoretical Studies of Calcium Fructoborate
Autor/es:
C.C. WAGNER; V. FERRARESI CUROTTO; R. PIS DIEZ; E.J. BARAN
Revista:
Biological Trace Element Research
Editorial:
Humana Press
Referencias:
Año: 2008 vol. 122 p. 64 - 64
ISSN:
0163-4984
Resumen:
Calcium fructoborate samples of composition Ca(C6H10O6BO)2.3.5H2O were characterized by chemical analysis, IR and Raman spectroscopy, and thermoanalytical (TG and DTA) 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.