69639 20240122154813.0 doi 10.1021/acs.inorgchem.6b02826 sideral 99044 ART-2017-99044 eng Fuertes, S. (orcid)0000-0003-1812-3175 Heteroleptic Cycloplatinated N-Heterocyclic Carbene Complexes: A New Approach to Highly Efficient Blue-Light Emitters 2017 Access copy available to the general public Unrestricted New heteroleptic compounds of platinum(II)-containing cyclometalated N-heterocyclic carbenes, [PtCl(R-C^C*)(PPh3)] [R-CH^C*-?C* = 3-methyl-1-(naphthalen-2-yl)-1H-imidazol-2-ylidene (R-C = Naph; 1A), 1-[4-(ethoxycarbonyl)phenyl]-3-methyl-1H-imidazol-2-ylidene (R = CO2Et; 1B), and [Pt(R-C^C*)(py)(PPh3)]PF6 (py = pyridine; R-C = Naph, 2A; R = CO2Et, 2B], have been prepared and fully characterized. All of them were obtained as the trans-(C*, PPh3) isomer in high yields. The selectivity of their synthesis has been explained in terms of the degree of transphobia (T) of pairs of ligands in trans positions. X-ray diffraction studies on both 2A and 2B revealed that only in 2A, containing a C^C* with a more extended p system, do the molecules assemble themselves into head-to-tail pairs through intermolecular p···p contacts. The photophysical properties of 2A and 2B and those of the related compounds [Pt(NC-C^C*)(PPh3)L]PF6 [NC-CH^C*-?C* = 1-(4-cyanophenyl)-3-methyl-1H-imidazol-2-ylidene; L = pyridine (py; 2C), 2, 6-dimethylphenylisocyanide (CNXyl; 3C), and 2-mercapto-1-methylimidazole (MMI; 4C)] have been examined to analyze the influence of the R substituent on R-C^C* (R-C = Naph; R = CO2Et, CN) and that of the ancillary ligands (L) on them. Experimental data and time-dependent density functional theory calculations showed the similarity of the electronic features associated with R-C^C* (R = CN, CO2Et) and their difference with respect to R-C^C* (R-C = Naph). All of the compounds are very efficient blue emitters in poly(methyl methacrylate) films under an argon atmosphere, with QY values ranging from 68% (2B) to 93% (2C). In the solid state, the color of the emission changes to yellowish-orange for compounds 2A (?max = 600 nm) and 3C (?max = 590 nm) because of the formation of aggregates through intermolecular p···p interactions. 2C and 3C were chosen to fabricate fully solution-processed electroluminescent devices with blue-light (2C), yellow-orange-light (3C), and white-light (mixtures of 2C and 3C) emission from neat films of the compounds as emitting layers. info:eu-repo/grantAgreement/ES/DGA/E21 info:eu-repo/grantAgreement/ES/MINECO/CTQ2015-67461-P info:eu-repo/semantics/openAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 4.7 2017 CHEMISTRY, INORGANIC & NUCLEAR 5 / 44 = 0.114 2017 Q1 T1 1.892 2017 Chemistry (miscellaneous) 2017 Q1 Physical and Theoretical Chemistry 2017 Q1 Inorganic Chemistry 2017 Q1 info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Chueca, A.J. (orcid)0000-0001-7891-8506 Arnal, L. Martín, A. Universidad de Zaragoza (orcid)0000-0002-4808-574X Giovanella, U. Botta, C. Sicilia, V. Universidad de Zaragoza (orcid)0000-0002-0257-0483 2010 760 Universidad de Zaragoza Dpto. Química Inorgánica Área Química Inorgánica 56, 9 (2017), 4829-4839 Inorg. chem. Inorganic Chemistry 0020-1669 950799 http://zaguan.unizar.es/record/69639/files/texto_completo.pdf Postprint 65559 http://zaguan.unizar.es/record/69639/files/texto_completo.jpg?subformat=icon icon Postprint oai:zaguan.unizar.es:69639 articulos driver 2024-01-22-15:31:19 ARTICLE