Bi-doped BaBiO ( = 0%, 5%, 10%, 15%, and 20%) perovskite oxides by a sol-gel method: comprehensive biological assessment and RhB photodegradation.

The BaBiO (BBO) perovskite oxide was prepared a sol-gel method with different concentrations of Bi nitrate and examined as a photocatalyst for RhB degradation under sunlight, and its antioxidant and antibacterial activities were examined. X-ray diffraction (XRD) indicated the formation of a BaBiO-BaCO (BBO-BCO) binary composite. For the degradation of RhB under solar radiation, high photocatalytic activity (73%) was observed.

Aromaticity of six-membered nitro energetic compounds through molecular electrostatic potential, magnetic, electronic delocalization and reactivity-based indices.

The electron density depletion associated with π-hole at the ring center typical of energetic compounds was clearly revealed by the molecular electrostatic potential (ESP). In addition, the spatial arrangement of NO groups appears to affect the ESP value in the ring center, and therefore sensitivity to detonation. Indeed, for monocyclic nitrobenzene compounds with the same number of NO groups, the ESP value in the ring center decreases as the NO groups are more closely spaced.