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

Abstract

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. The authors declare no conflict of interest. The data that support the findings of this study are available from the corresponding author upon reasonable request. As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.