Influence of perhalophenyl groups in the TADF mechanism of diphosphino gold(I) complexes

New perhalophenyl three-coordinated gold(i) complexes using the chelate ligand 1,2-bis(diphenyl-phosphino)benzene (dppBz) and [AuR(tht)] (R = C6F5 (1), o-C6BrF4 (2), p-C6BrF4 (3), o-C6F4I (4), p-C6F4I (5); tht = tetrahydrothiophene) have been prepared. The crystal structures of compounds 1 and 2 con...

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Published in:Journal of materials chemistry Vol. 10, № 12. P. 4894-4904
Other Authors: Soldevilla, Inés, García-Camacho, Aimara, Nasibullin, Rinat T., Olmos, M. Elena, Monge, Miguel, Sundholm, Dage, Valiev, Rashid R., López-de-Luzuriaga, José M., Rodríguez-Castillo, María
Format: Article
Language:English
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Online Access:http://vital.lib.tsu.ru/vital/access/manager/Repository/koha:001002957
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245 1 0 |a Influence of perhalophenyl groups in the TADF mechanism of diphosphino gold(I) complexes  |c I. Soldevilla, A. García-Camacho, R. T. Nasibullin [et al.] 
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504 |a Библиогр.: 36 назв. 
520 3 |a New perhalophenyl three-coordinated gold(i) complexes using the chelate ligand 1,2-bis(diphenyl-phosphino)benzene (dppBz) and [AuR(tht)] (R = C6F5 (1), o-C6BrF4 (2), p-C6BrF4 (3), o-C6F4I (4), p-C6F4I (5); tht = tetrahydrothiophene) have been prepared. The crystal structures of compounds 1 and 2 consist of distorted three-coordinated Au(i) complexes displaying different Au-P distances at the same gold atom. The complexes show intense photoluminescent emission in the solid state at room temperature (RT) and at 77 K. The study of the dependence of the emission lifetime with temperature suggests the existence of thermally activated delayed fluorescence (TADF) processes at RT. We have computed the rate constants for intersystem crossing and reverse intersystem crossing of the photophysical processes through first-principle calculations, supporting the experimental observations with very good agreement. 
653 |a хелатные комплексы 
653 |a лиганды 
653 |a флуоресценция 
655 4 |a статьи в журналах 
700 1 |a Soldevilla, Inés 
700 1 |a García-Camacho, Aimara 
700 1 |a Nasibullin, Rinat T. 
700 1 |a Olmos, M. Elena 
700 1 |a Monge, Miguel 
700 1 |a Sundholm, Dage 
700 1 |a Valiev, Rashid R. 
700 1 |a López-de-Luzuriaga, José M. 
700 1 |a Rodríguez-Castillo, María 
773 0 |t Journal of materials chemistry  |d 2022  |g Vol. 10, № 12. P. 4894-4904  |x 2050-7526 
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