| Summary: | Band gap magnitudes and valence band energies of Ta<sup>5+</sup> containing simple perovskites (BaTaO<sub>2</sub>N, SrTaO<sub>2</sub>N, CaTaO<sub>2</sub>N, KTaO<sub>3</sub>, NaTaO<sub>3</sub>, and TaO<sub>2</sub>F) were studied by diffuse reflection absorbance measurements, density-functional theoretical calculations, and X-ray photoelectron spectroscopy. As a universal trend, the oxynitrides have wider valence bands and narrower band gaps than isostructural oxides, owing to the N 2<i>p</i> contribution to the electronic structure. Visible light-driven water splitting was achieved by using Pt-loaded CaTaO<sub>2</sub>N, together with a sacrificial agent CH<sub>3</sub>OH.
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