Versatile coordinative abilities of perhalophenyl-gold(I) fragments to Xantphos: Influence on the emissive properties

López‐de‐Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena; Rodríguez‐Castillo, María; Soldevilla, Inés

doi:10.1016/j.jorganchem.2020.121198

Cited by 8 publications

(3 citation statements)

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“…In addition, a minor signal around 21–22 ppm is observed in the 31 P{ 1 H} NMR spectra for all complexes. According to previous studies of perhalophenyl–gold(I) complexes bearing diphosphine ligands, these signals could be assigned to bis chelating cationic species [Au(dppBz) 2 ] + , in which two ligands are bonded to one gold(I) atom that coexists with the neutral three-coordinated complex in solution . However, the coexistence of the neutral and the ionic species can only take place in solution.…”

Section: Synthesis and Characterizationmentioning

confidence: 96%

“…According to previous studies of perhalophenyl−gold(I) complexes bearing diphosphine ligands, these signals could be assigned to bis chelating cationic species [Au(dppBz) 2 ] + , in which two ligands are bonded to one gold(I) atom that coexists with the neutral three-coordinated complex in solution. 22 However, the coexistence of the neutral and the ionic species can only take place in solution. In all cases, pure neutral three-coordinated Au(I) complexes 1−3 are obtained in the solid state when they are isolated.…”

Section: ■ Synthesis and Characterizationmentioning

confidence: 99%

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Perhalophenyl Three-Coordinate Gold(I) Complexes as TADF Emitters: A Photophysical Study from Experimental and Computational Viewpoints

et al. 2020

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We report the synthesis of novel perhalophenyl three-coordinated gold(I) complexes using 1,2-bis-(diphenylphosphino)benzene (dppBz) as the chelating ligand and [AuR(tht)] (R = C 6 F 5 , C 6 Cl 2 F 3 , C 6 Cl 5 ) as the perhalophenyl− gold(I) source, leading to [AuR(dppBz)] (R = C 6 F 5 (1), C 6 Cl 2 F 3 (2), C 6 Cl 5 (3)) complexes. The solid-state structures of compounds 2 and 3 consist of discrete three-coordinated Au(I) complexes, which show a distorted trigonal planar geometry for the gold center with dissimilar Au−P distances. The distorted structural arrangement is closely related to its photophysical properties. The studied complexes display very intense emissions at room temperature (RT) and at 77 K in the solid state. Studies of the emissive properties of the complexes at different temperatures suggest that the emissions are phosphorescent at 77 K and exhibit thermally activated delayed fluorescence (TADF) at RT. Firstprinciple calculations of the photophysical processes yielded rate constants for intersystem crossing and reverse intersystem crossing that are in excellent agreement with experimental data.

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Section: Synthesis and Characterizationmentioning

confidence: 96%

Section: ■ Synthesis and Characterizationmentioning

confidence: 99%

Perhalophenyl Three-Coordinate Gold(I) Complexes as TADF Emitters: A Photophysical Study from Experimental and Computational Viewpoints

et al. 2020

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“…In previous studies of solutions of diphosphino–gold( i ) complexes, neutral three-coordinated gold( i ) complexes [AuX(P–P)], (X = Cl, perhalophenyl group) were found to co-exist with the bis(chelating) cationic species [Au(P–P) 2 ] + . 6–8 In this work the neutral [AuR(dppBz)] and the ionic [Au(dppBz) 2 ][AuR 2 ] (R = o -C 6 BrF 4 ( 2 ), p -C 6 BrF 4 ( 3 ), o -C 6 F 4 I ( 4 ), p -C 6 F 4 I ( 5 )) are confirmed through 19 F NMR measurements. Thus, two groups of signals appear (see the ESI†), among which the most intense ones correspond to the neutral gold( i ) complexes at −113.47 (m, 1F, F 1 ), −127.27 (m, 1F, F 4 ), −157.50 (m, 1F, F 2 ), −158.58 (m, 1F, F 3 ) ppm ( 2 ); −112.63 (m, 2F, F 1 ), −135.13 (m, 2F, F 2 ) ppm ( 3 ); −113.05 (m, 1F, F 1 ), −113.92 (m, 1F, F 4 ), −156.65 (m, 1F, F 2 ), −158.53 (m, 1F, F 3 ) ppm ( 4 ); −112.32 (m, 2F, F 1 ), −122.79 (m, 2F, F 2 ) ppm ( 5 ).…”

Section: Resultsmentioning

confidence: 55%