000164129 001__ 164129
000164129 005__ 20251121161352.0
000164129 0247_ $$2doi$$a10.1021/acs.inorgchem.5c03511
000164129 0248_ $$2sideral$$a146289
000164129 037__ $$aART-2025-146289
000164129 041__ $$aeng
000164129 100__ $$aJiménez, Raquel
000164129 245__ $$aDiphosphane-Mediated Control of the Emissive Properties in [Cu(NHC)(P^P)] <sup>+</sup> Complexes: TADF vs Phosphorescence
000164129 260__ $$c2025
000164129 5060_ $$aAccess copy available to the general public$$fUnrestricted
000164129 5203_ $$aThe 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.
000164129 536__ $$9info:eu-repo/grantAgreement/ES/DGA-FSE/A07_23R$$9info:eu-repo/grantAgreement/ES/MICINN AEI/PID2022-136861NB-I00$$9info:eu-repo/grantAgreement/ES/MICINN/TED2021-130447B-I00
000164129 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttps://creativecommons.org/licenses/by/4.0/deed.es
000164129 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000164129 700__ $$0(orcid)0000-0001-9522-5840$$aCrespo, Olga$$uUniversidad de Zaragoza
000164129 700__ $$0(orcid)0000-0003-0553-0695$$aGimeno, M. Concepción
000164129 7102_ $$12010$$2760$$aUniversidad de Zaragoza$$bDpto. Química Inorgánica$$cÁrea Química Inorgánica
000164129 773__ $$g64, 43 (2025), 21541-21550 [10 pp.]$$pInorg. chem.$$tInorganic Chemistry$$x0020-1669
000164129 8564_ $$s4288921$$uhttps://zaguan.unizar.es/record/164129/files/texto_completo.pdf$$yVersión publicada
000164129 8564_ $$s2926889$$uhttps://zaguan.unizar.es/record/164129/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000164129 909CO $$ooai:zaguan.unizar.es:164129$$particulos$$pdriver
000164129 951__ $$a2025-11-21-14:27:05
000164129 980__ $$aARTICLE