On the structure of the BOHC in the borosilicate and borophosphosilicate glasses

This work gives the electronic structures and spectroscopic parameters of two defects proposed in literature that may account for the BOHC in borosilicate and borophosphosilicate glasses. The calculations of this study discard the early model, B–O–Si, for the BOHC identified first in the B2O3 · 3SiO3 glass. The present calculations suggest the structure: B–O for the BOHC. This model agrees with up to date pulsed electron paramagnetic resonance (EPR) studies.