Ornamenting of Blue Thermally Activated Delayed Fluorescence Emitters by Anchor Groups for the Minimization of Solid-State Solvation and Conformation Disorder Corollaries in Non-Doped and Doped Organic Light-Emitting Diodes

Motivated to minimize the effects of solid-state solvation and conformation disorder on emission properties of donor–acceptor-type emitters, we developed five new asymmetric multiple donor–acceptor type derivatives of tert-butyl carbazole and trifluoromethyl benzene exploiting different electron-accepting anchoring groups. Using this design strategy, for a compound containing four di-tert-butyl carbazole units as donors as well as 5-methyl pyrimidine and trifluoromethyl acceptor moieties, small singlet-triplet splitting of ca. 0.03 eV, reverse intersystem crossing rate of 1 × 10⁶ s–¹, and high photoluminescence quantum yield of neat film of ca. 75% were achieved. This compound was also characterized by the high value of hole and electron mobilities of 8.9 × 10–⁴ and 5.8 × 10–⁴ cm² V–¹ s–¹ at an electric field of 4.7 × 10⁵ V/cm, showing relatively good hole/electron balance, respectively. Due to the lowest conformational disorder and solid-state solvation effects, this compound demonstrated very similar emission properties (emission colors) in non-doped and differently doped organic light-emitting diodes (OLEDs). The lowest conformational disorder was observed for the compound with the additional accepting moiety inducing steric hindrance, limiting donor–acceptor dihedral rotational freedom. It can be exploited in the multi-donor–acceptor approach, increasing the efficiency. Using an emitter exhibiting the minimized solid-state solvation and conformation disorder effects, the sky blue OLED with the emitting layer of this compound dispersed in host 1,3-bis(N-carbazolyl)benzene displayed an emission peak at 477 nm, high brightness over 39 000 cd/m², and external quantum efficiency up to 15.9% along with a maximum current efficiency of 42.6 cd/A and a maximum power efficiency of 24.1 lm/W.