164129 20251121161352.0 doi 10.1021/acs.inorgchem.5c03511 sideral 146289 ART-2025-146289 eng Jiménez, Raquel Diphosphane-Mediated Control of the Emissive Properties in [Cu(NHC)(P^P)] ⁺ Complexes: TADF vs Phosphorescence 2025 The influence of both the skeleton and substituents of the diphosphane in the photophysical properties of [Cu(NHC)(P^P)]PF6 TADF-phosphorescent emitters is investigated [NHC = Bz-Im-2-XPy (X = H, Cl)]. The study reveals that optimization of the diphosphane structure can boost quantum yields to as high as 85% using carbenes with simple structural frameworks or substituent wings. Remarkably, the diphosphane skeleton emerges as the most influential factor for controlling the quantum yield (Φ). None of the ΔE(S1-T1) energy gap, steric factors (buried volume percentage), or T1 energy alone seem to govern the observed Φ. These insights reveal new avenues for achieving high-performance TADF emitters through ligand engineering. Access copy available to the general public Unrestricted info:eu-repo/grantAgreement/ES/DGA-FSE/A07_23R info:eu-repo/grantAgreement/ES/MICINN AEI/PID2022-136861NB-I00 info:eu-repo/grantAgreement/ES/MICINN/TED2021-130447B-I00 info:eu-repo/semantics/openAccess by https://creativecommons.org/licenses/by/4.0/deed.es info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Crespo, Olga Universidad de Zaragoza (orcid)0000-0001-9522-5840 Gimeno, M. Concepción (orcid)0000-0003-0553-0695 2010 760 Universidad de Zaragoza Dpto. Química Inorgánica Área Química Inorgánica 64, 43 (2025), 21541-21550 [10 pp.] Inorg. chem. Inorganic Chemistry 0020-1669 4288921 http://zaguan.unizar.es/record/164129/files/texto_completo.pdf Versión publicada 2926889 http://zaguan.unizar.es/record/164129/files/texto_completo.jpg?subformat=icon icon Versión publicada oai:zaguan.unizar.es:164129 articulos driver 2025-11-21-14:27:05 ARTICLE