RT Journal Article T1 AcetylacetonateBODIPY-Biscyclometalated Iridium(III) Complexes: Effective Strategy towards Smarter Fluorescent Photosensitizer Agents A1 Palao Utiel, Eduardo A1 Sola Llano, Rebeca A1 Tabero Truchado, Andrea A1 Manzano, Hegoi A1 Rodríguez Agarrabeitia, Antonia A1 Villanueva Oroquieta, Ángeles A1 López Arbeloa, Íñigo María A1 Martínez Martínez, Virginia A1 Ortíz García, María Josefa AB Biscyclometalated IrIII complexes involving boron-dipyrromethene (BODIPY)-based ancillary ligands, where the BODIPY unit is grafted to different chelating cores (acetylacetonate for Ir-1 and Ir-2, and bipyridine for Ir-3) by the BODIPY meso position, have been synthesized and characterized. Complexes with the BODIPY moiety directly grafted to acetylacetonate (Ir-1 and Ir-2) exhibit higher absorption coefficients (ϵ≈4.46×104 m−1 cm−1 and 3.38×104 m−1 cm−1 at 517 nm and 594 nm, respectively), higher moderate fluorescence emission (φfl≈0.08 and 0.22 at 528 nm and 652 nm, respectively) and, in particular, more efficient singlet oxygen generation upon visible-light irradiation (φΔ≈0.86 and 0.59, respectively) than that exhibited by Ir-3 (φΔ≈0.51, but only under UV light). Phosphorescence emission, nanosecond time-resolved transient absorption, and DFT calculations suggest that BODIPY-localized long-lived 3IL states are populated for Ir-1 and Ir-2. In vitro photodynamic therapy (PDT) activity studied for Ir-1 and Ir-2 in HeLa cells shows that such complexes are efficiently internalized into the cells, exhibiting low dark- and high photocytoxicity, even at significantly low complex concentration, making them potentially suitable as theranostic agents. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim PB Wiley SN 0947-6539 YR 2017 FD 2017-07-26 LK https://hdl.handle.net/20.500.14352/18149 UL https://hdl.handle.net/20.500.14352/18149 LA eng NO Manuscript Received: 24 MAR 2017; Accepted manuscript online: 19 MAY 2017; Version of Record online: 6 JUL 2017; Issue online: 26 JUL 2017 NO Ministerio de Economía y Competitividad (MINECO) NO Ministerio de Ciencia e Innovación (MICINN) NO Comunidad de Madrid NO Gobierno vasco (España) DS Docta Complutense RD 1 sept 2024