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oai:riubu.ubu.es:10259/74072026-02-06T12:52:47Zcom_10259_3592com_10259_3591com_10259.4_106com_10259_2604com_10259_4363com_10259_5086com_10259_6185com_10259_3924col_10259_3930col_10259_4364col_10259_6186col_10259_3925

00925njm 22002777a 4500 dc Echevarría Poza, Igor author Vaquero Gutiérrez, Mónica author Manzano, Blanca R. author Jalón Sotés, Félix Ángel author Quesada Pato, Roberto author Espino Ordóñez, Gustavo author 2022-04 Photoredox catalysis constitutes a very powerful tool in organic synthesis, due to its versatility, efficiency, and the mild conditions required by photoinduced transformations. In this paper, we present an efficient and selective photocatalytic procedure for the aerobic oxidative dehydrogenation of partially saturated N-heterocycles to afford the respective N-heteroarenes (indoles, quinolines, acridines, and quinoxalines). The protocol involves the use of new Ir(III) biscyclometalated photocatalysts of the general formula [Ir(C^N)2(N^N′)]Cl, where the C^N ligand is 2- (2,4-difluorophenyl)pyridinate, and N^N′ are different ligands based on the 2-(2′-pyridyl)benzimidazole scaffold. In-depth electrochemical and photophysical studies as well as DFT calculations have allowed us to establish structure−activity relationships, which provide insights for the rational design of efficient metal-based dyes in photocatalytic oxidation reactions. In addition, we have formulated a dual mechanism, mediated by the radical anion superoxide, for the above-mentioned transformations. 0020-1669 http://hdl.handle.net/10259/7407 10.1021/acs.inorgchem.2c00358 1520-510X Excited states Ligands Redox reactions Solvents Transition metals Photocatalytic Aerobic Dehydrogenation of N-Heterocycles with Ir(III) Photosensitizers Bearing the 2(2′-Pyridyl)benzimidazole Scaffold