Revealing the Unexplored Mechanism of Photochemical Oxaziridine Conversion Process of 2H‐imidazole 1‐oxides

The photochemistry of 2H‐imidazole‐1‐oxides has been explored using the two well‐known spin‐trapping agents, TMIO and DMPIO as the representative systems of this cyclic nitrone category. Computational studies have revealed that the photo‐excitation of these compounds involve a strongly allowed S0→S2 transition which is subsequently followed by S2/S1 and S0/S1 conical intersections to form the photo‐product oxaziridine.