000107453 001__ 107453
000107453 005__ 20240122154814.0
000107453 0247_ $$2doi$$a10.1021/acs.organomet.0c00510
000107453 0248_ $$2sideral$$a121163
000107453 037__ $$aART-2020-121163
000107453 041__ $$aeng
000107453 100__ $$aJaime, S.
000107453 245__ $$aCyclometalated NHCs Pt(II) Compounds with Chelating P^P and S^S Ligands: From Blue to White Luminescence
000107453 260__ $$c2020
000107453 5060_ $$aAccess copy available to the general public$$fUnrestricted
000107453 5203_ $$aIonic [Pt(C^C*A/B)(P^P)]PF6 and neutral [Pt(C^C*A/B)(S^S)] complexes were designed and synthesized containing cyclometalated N-heterocyclic carbenes (C^C*A/B) and diphosphines (P^P: dpfppe, dcypm) or dithiocarbamates (S^S: dmdtc, pdtc) as chelating ligands. Their structural and spectroscopic properties were investigated and found to be dependent on both cyclometalated (C^C*A/B) and ancillary (P^P, S^S) ligands. The photophysical and computational studies for the [Pt(C^C*A/B)(P^P)]+complexes disclose the nature of the low-lying electronic transitions to be mainly intraligand charge transfer [ILCT (C^C*A/B)] with some contribution of ligand-to-ligand charge transfer (LL''CT) or ligand-to metal charge transfer (LMCT) for the dpfppe or dcypm derivatives, respectively. The blue and cyan emissions of PMMA films doped with the [Pt(C^C*A/B)(P^P)]+ complexes exhibited very high quantum yields (QYs) reaching up to ~90%. However, the low-energy absorptions and emissions of the [Pt(C^C*A/B)(S^S)] complexes in solution (rt or 77 K) arise from mixed ILCT [C^C*A/B]/MLCT [dp(Pt) ¿ p*(C^C*A/B)] excited states, showing no change with the different S^S ligands. In solid-state and in doped films, these dithiocarbamate complexes, excluding 8B, display dual emissions with the high-energy vibronic band (3ILCT /3MLCT) appearing together with an additional low-energy structureless band. The latter is attributed to 3pp* transitions originated from p-stacked aggregates, as reported in the X-ray structure of 7A. Thus, white light emissions can be obtained with photo- and colorimetric values lying inside the stipulated limits for general lighting applications; yet, they display low QY. Copyright
000107453 536__ $$9info:eu-repo/grantAgreement/ES/CSIC/2018801070-PIE-147$$9info:eu-repo/grantAgreement/ES/DGA/E17-20R$$9info:eu-repo/grantAgreement/ES/DGA-FEDER/Construyendo Europa desde Aragón$$9info:eu-repo/grantAgreement/ES/MICIU-FEDER/PGC2018-094749-B-I00
000107453 540__ $$9info:eu-repo/semantics/openAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/
000107453 590__ $$a3.876$$b2020
000107453 591__ $$aCHEMISTRY, ORGANIC$$b13 / 57 = 0.228$$c2020$$dQ1$$eT1
000107453 591__ $$aCHEMISTRY, INORGANIC & NUCLEAR$$b11 / 45 = 0.244$$c2020$$dQ1$$eT1
000107453 592__ $$a1.231$$b2020
000107453 593__ $$aInorganic Chemistry$$c2020$$dQ1
000107453 593__ $$aPhysical and Theoretical Chemistry$$c2020$$dQ1
000107453 593__ $$aOrganic Chemistry$$c2020$$dQ1
000107453 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion
000107453 700__ $$0(orcid)0000-0002-0283-9307$$aArnal, L.$$uUniversidad de Zaragoza
000107453 700__ $$0(orcid)0000-0002-0257-0483$$aSicilia, V.$$uUniversidad de Zaragoza
000107453 700__ $$0(orcid)0000-0003-1812-3175$$aFuertes, S.
000107453 7102_ $$12010$$2760$$aUniversidad de Zaragoza$$bDpto. Química Inorgánica$$cÁrea Química Inorgánica
000107453 773__ $$g39, 20 (2020), 3695-3704$$pOrganometallics$$tOrganometallics$$x0276-7333
000107453 8564_ $$s785614$$uhttps://zaguan.unizar.es/record/107453/files/texto_completo.pdf$$yPostprint
000107453 8564_ $$s2959599$$uhttps://zaguan.unizar.es/record/107453/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint
000107453 909CO $$ooai:zaguan.unizar.es:107453$$particulos$$pdriver
000107453 951__ $$a2024-01-22-15:33:26
000107453 980__ $$aARTICLE