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.