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The vitreous system xFe₂O₃•(70-x)B₂O₃•15ZnO•15CaO with 0 ≤ x ≤ 25 mol% was prepared using the rapid melt quenching method. The effect of Fe₂O₃ on the borate glass structure was investigated by IR spectroscopy and illustrated by Density Functional Theory (DFT) method. The boron atoms are situated in trigonal [BO₃] and tetragonal [BO₄] groups and their ratio depends on Fe₂O₃ content. Two structural models were built, using DFT method, in agreement with IR experimental data, one for base glass 70B₂O₃•15ZnO•15CaO (x = 0 mol%) and another for the highest iron content in sample 25Fe₂O₃•45B₂O₃•15ZnO•15CaO (x = 25 mol%). Calculations with DFT method show that the addition of iron determines the breaking of B-O bonds in borate network and increases the number of [BO₃] groups.

Keywords: glass, chemical synthesis, infrared spectroscopy