117217 20230519145553.0 doi 10.1021/acs.inorgchem.1c03092 sideral 126759 ART-2021-126759 eng Alconchel, A. Closo- or Nido-Carborane Diphosphane as responsible for strong thermochromism or Time Activated Delayed Fluorescence (TADF) in [Cu(N^N)(P^P)]0/+ 2021 Access copy available to the general public Unrestricted Ortho-closo or ortho-nido-carborane-diphosphanes have been selected to prepare the heteroleptic cationic or neutral [Cu(N^N){(PPh2)2C2B10H10}]PF6 (1) and [Cu(N^N){(PPh2)2C2B9H10}] (2) [N^N = 2-(4-thiazolyl)benzimidazole], respectively. Complexes 1 and 2 display very different emissive behavior. Neutral complex 2 exhibits TADF (time activated delayed fluorescence) which has been studied both as powder and PMMA composite with similar ¿E(S1 - T1), t(T1), and t(S1) in both phases. Cationic complex 1 displays a much lower quantum yield than 2 and does not show TADF, but it exhibits a significant thermochromic luminescence, and its emission is very dependent on the medium. Theoretical studies show that metal-ligand (M-diphosphane) to ligand (L', diimine) transitions, MLL'CT, are responsible of the transitions which originate the emissive properties, but with very different contribution of the copper center, carborane cluster, and diphosphane phenyl rings for 1 and 2. © 2021 The Authors. Published by American Chemical Society. info:eu-repo/grantAgreement/ES/MICINN/PID2019-104379RB-C21 info:eu-repo/semantics/openAccess by http://creativecommons.org/licenses/by/3.0/es/ 5.436 2021 CHEMISTRY, INORGANIC & NUCLEAR 5 / 46 = 0.109 2021 Q1 T1 1.121 2021 Inorganic Chemistry 2021 Q1 Chemistry (miscellaneous) 2021 Q1 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Crespo, O. Universidad de Zaragoza (orcid)0000-0001-9522-5840 García-Orduña, P. (orcid)0000-0002-7063-1292 Gimeno, M.C. (orcid)0000-0003-0553-0695 2010 760 Universidad de Zaragoza Dpto. Química Inorgánica Área Química Inorgánica 60, 23 (2021), 18521-18528 Inorg. chem. Inorganic Chemistry 0020-1669 2869686 http://zaguan.unizar.es/record/117217/files/texto_completo.pdf Versión publicada 3017707 http://zaguan.unizar.es/record/117217/files/texto_completo.jpg?subformat=icon icon Versión publicada oai:zaguan.unizar.es:117217 articulos driver 2023-05-18-15:52:27 ARTICLE