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

Abstract

New perhalophenyl three-coordinated gold(I) complexes using the chelate ligand 1,2-bis(diphenylphosphino)benzene (dppBz) and [AuR(tht)] (R = C6F5 (1), o-C6BrF4 (2), p-C6BrF4 (3), o-C6F4I (4), p-C6F4I (5); tht = tetrahydrothiophene) have been...

Gold(i)-containing light-emitting molecules with an inverted singlet–triplet gap

“…We are here particularly interested in gold(I)-containing TADF luminophores. Our previous experience in the eld 7,8 suggests that gold(I) has certain properties that justify our choice. These are: (i) its tendency towards linear dicoordination that imprints structural rigidity to the complex that minimizes non-radiative deactivation pathways, (ii) the possibility of netuning the emission energy by considering subtle factors, and (iii) the chemical inertness of the complexes that makes them ideal for applications.…”

Efficient Reverse Intersystem Crossing in Carbene‐Copper‐Amide TADF Emitters via an Intermediate Triplet State

“…In metal‐containing TADF emitters, two‐state models including only the lowest‐lying singlet and triplet states are still common to find [6–9, 23–31] . Such simple models endure, likely because the presence of metal‐ d orbitals naturally accounts for an spin‐orbit coupling between 1,3 CT states larger than in the organic cases—even if it taints just a few wave numbers [25, 26] .…”

“…So far, all models proposing three and more states to explain rISC in TADF emitters rely on static calculations of spin‐orbit couplings and with them rISC rate constants [25, 26, 28, 31–33, 37] . Dynamical studies [39] of metal‐containing TADF emitters are rare.…”

“…[17][18][19][20][21][22] In metal-containing TADF emitters, two-state models including only the lowest-lying singlet and triplet states are still common to find. [6][7][8][9][23][24][25][26][27][28][29][30][31] Such simple models endure, likely because the presence of metal-d orbitals naturally accounts for an spin-orbit coupling between 1,3 CT states larger than in the organic cases-even if it taints just a few wave numbers. [25,26] In order to invoke spin-orbit couplings one to two orders of magnitude larger, [32] models including three-or more states, as well as metal-to-ligand charge transfer triplet states ( 3 MLCT), are starting to emerge.…”

Mono‐ and Dinuclear Gold(I) Coumarin Complexes: Luminescence Studies and Singlet Oxygen Production

“…The development of luminescent materials is a research area of great interest in the last decades due to the large variety of applications on different fields such as electronic displays, luminescent switches, OLEDs, optical devices or sensing materials among others. [1][2][3][4][5][6][7][8][9][10] The presence of metal atoms, and particularly, transition metal atoms, in the chemical structure of the designed luminophores is increasing attention due to the intrinsic characteristics that can offer metals regarding enhanced optical properties and chemical configuration with larger variety of coordination numbers that can easily be tuned changing completely the resulting emission with respect to their energy (emission wavelength), intensity (quantum yields) and lifetimes. In particular, heavy atoms are especially relevant on luminescence since they are also very well-known to favor the intersystem crossing (ISC) process from S 1 to T 1 excited states.…”