Deciphering Active Sites in Titanium Silicalite-1 via Solid-State NMR and X-ray Spectroscopic Signatures

-edge NEXAFS) can help detecting octahedral Ti sites and can be used to measure, track the conversion, and distinguish mono- and dinuclear Ti-peroxo species; and (iv) how ambient conditions affect the active-site structure and how water-induced structural rearrangement gives rise to Brønsted acidity in TS-1. Finally, we provide an outlook on ongoing developments that are needed to further expand the scope of the methodology discussed herein, in particular, with a focus on characterizing reactive intermediates and translating the methodology to other Ti-based catalysts.