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dc.contributor.author | Echevarría Poza, Igor | |
dc.contributor.author | Vaquero Gutiérrez, Mónica | |
dc.contributor.author | Manzano, Blanca R. | |
dc.contributor.author | Jalón, Félix A. | |
dc.contributor.author | Quesada Pato, Roberto | |
dc.contributor.author | Espino Ordóñez, Gustavo | |
dc.date.accessioned | 2023-02-07T09:18:18Z | |
dc.date.available | 2023-02-07T09:18:18Z | |
dc.date.issued | 2022-04 | |
dc.identifier.issn | 0020-1669 | |
dc.identifier.uri | http://hdl.handle.net/10259/7407 | |
dc.description.abstract | 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. | en |
dc.description.sponsorship | We acknowledge the financial support provided by the Spanish Ministerio de Ciencia, Innovación y Universidades (RTI2018- 100709-B-C21 and CTQ (QMC)-RED2018-102471-T), Consejería de Educación de la Junta de Castilla y León and FEDER (BU087G19 and BU067P20), and Junta de Comunidades de Castilla-La Mancha-FEDER (JCCM) (grant SBPLY/19/ 180501/000260). I.E. acknowledges his fellowship to both the European Social Fund and Consejería de Educación de la Junta de Castilla y León (EDU/1100/2017). We are also indebted to J. Delgado, P. Castroviejo, and M. Mansilla (PCT of the Universidad de Burgos) for technical support, G. GarcíaHerbosa for providing us access to CV equipment, and J. V. Cuevas-Vicario for support with Gaussian. | en |
dc.format.mimetype | application/pdf | |
dc.language.iso | eng | es |
dc.publisher | American Chemical Society | en |
dc.relation.ispartof | Inorganic Chemistry. 2022, V. 61, n. 16, p. 6193-6208 | es |
dc.rights | Atribución 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | * |
dc.subject | Excited states | en |
dc.subject | Ligands | en |
dc.subject | Redox reactions | en |
dc.subject | Solvents | en |
dc.subject | Transition metals | en |
dc.subject.other | Química inorgánica | es |
dc.subject.other | Chemistry, Inorganic | en |
dc.subject.other | Química orgánica | es |
dc.subject.other | Chemistry, Organic | en |
dc.title | Photocatalytic Aerobic Dehydrogenation of N-Heterocycles with Ir(III) Photosensitizers Bearing the 2(2′-Pyridyl)benzimidazole Scaffold | en |
dc.type | info:eu-repo/semantics/article | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.relation.publisherversion | https://doi.org/10.1021/acs.inorgchem.2c00358 | es |
dc.identifier.doi | 10.1021/acs.inorgchem.2c00358 | |
dc.relation.projectID | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-100709-B-C21/ES/NUEVOS METALOFARMACOS DISEÑADOS PARA INCREMENTAR LA SELECTIVIDAD EN TRATAMIENTOS CONTRA EL CANCER. USO DE FOTOTERAPIA Y VEHICULIZACION CON LIGANDOS DIRIGIDOS A TUMORES/ | es |
dc.relation.projectID | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RED2018-102471-T/ES/METALOFARMACOS MULTIFUNCIONALES PARA DIAGNOSIS Y TERAPIA/ | es |
dc.relation.projectID | info:eu-repo/grantAgreement/Junta de Castilla y León//BU087G19//Compuestos organometálicos de ir(iii) en terapias antiproliferativas y como sondas químicas deaminas biógenas/ | es |
dc.relation.projectID | info:eu-repo/grantAgreement/Junta de Castilla y León//BU067P20//Molecular tools targeting cellular metabolism for cancer therapy/ | es |
dc.relation.projectID | info:eu-repo/grantAgreement/JCCM//SBPLY%2F19%2F 180501%2F000260/ | es |
dc.identifier.essn | 1520-510X | |
dc.journal.title | Inorganic Chemistry | en |
dc.volume.number | 61 | es |
dc.issue.number | 16 | es |
dc.page.initial | 6193 | es |
dc.page.final | 6208 | es |
dc.type.hasVersion | info:eu-repo/semantics/publishedVersion | es |