Phosphorescent Tris-cyclometalated Pt(IV) Complexes with Mesoionic N‐Heterocyclic Carbene and 2‐Arylpyridine Ligands

Vivancos Ureña, Ángela; Bautista, Delia; González Herrero, Pablo

Publication:
Phosphorescent Tris-cyclometalated Pt(IV) Complexes with Mesoionic N‐Heterocyclic Carbene and 2‐Arylpyridine Ligands

dc.contributor.author	Vivancos Ureña, Ángela
dc.contributor.author	Bautista, Delia
dc.contributor.author	González Herrero, Pablo
dc.contributor.department	Química Inorgánica
dc.date.accessioned	2024-01-30T12:59:30Z
dc.date.available	2024-01-30T12:59:30Z
dc.date.copyright	© 2022 The Authors.
dc.date.issued	2022-07-21
dc.description.abstract	The synthesis, structure, photophysical properties, and electrochemistry of the first series of Pt(IV) tris-chelates bearing cyclometalated aryl-NHC ligands are reported. The complexes have the general formula [Pt(trz)2(C∧N)]+, combining two units of the cyclometalated, mesoionic aryl-NHC ligand 4- butyl-3-methyl-1-phenyl-1H-1,2,3-triazol-5-ylidene (trz) with a cyclometalated 2-arylpyridine [C∧N = 2-(2,4-difluorophenyl)- pyridine (dfppy), 2-phenylpyridine (ppy), 2-(p-tolyl)pyridine (tpy), 2-(2-thienyl)pyridine (thpy), 2-(9,9-dimethylfluoren-2-yl)- pyridine (flpy)], and presenting a mer arrangement or metalated aryls. They exhibit a significant photostability under UV irradiation and long-lived phosphorescence in the blue to yellow color range, arising from 3LC excited states involving the C∧N ligands, with quantum yields of up to 0.34 in fluid solution and 0.77 in the rigid matrix at 298 K. The time-dependent density functional theory (TD-DFT) calculations reveal that nonemissive, deactivating excited states of ligand-to-metal charge-transfer (LMCT) character are pushed to high energies as a consequence of the strong σ-donating ability of the carbenic moieties, making the Pt(trz)2 subunit an essential structural component that enables efficient emissions from the chromophoric C∧N ligands, with potential application for the development of different Pt(IV) emitters with tunable properties.	es
dc.format	application/pdf	es
dc.format.extent	10	es
dc.identifier.citation	Inorganic Chemistry 2022, 61, 12033−12042
dc.identifier.doi	https://doi.org/10.1021/acs.inorgchem.2c02039
dc.identifier.issn	0020-1669
dc.identifier.uri	http://hdl.handle.net/10201/138171
dc.language	eng	es
dc.relation	MCIN/AEI/10.13039/501100011033 and “ERDF A way of making Europe,” proyecto PGC2018-100719−B-I00. MCIN/AEI/10.13039/501100011033 and “ESF Investing in your future”, proyecto IJC2019-039057-I.	es
dc.rights	info:eu-repo/semantics/openAccess	es
dc.rights	Atribución 4.0 Internacional	*
dc.subject	Platino	es
dc.subject	Luminiscencia
dc.subject	Complejos ciclometalados
dc.subject.other	CDU::5 - Ciencias puras y naturales::54 - Química::546 - Química inorgánica	es
dc.title	Phosphorescent Tris-cyclometalated Pt(IV) Complexes with Mesoionic N‐Heterocyclic Carbene and 2‐Arylpyridine Ligands	es
dc.type	info:eu-repo/semantics/article	es
dc.type.version	info:eu-repo/semantics/publishedVersion
dspace.entity.type	Publication	es
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