Ultrafast spin-flip exciton conversion and narrowband sky-blue luminescence in a fused polycyclic selenaborin emitter

Abstract

Thermally activated delayed fluorescence (TADF) materials with high photoluminescence quantum yields and fast reverse intersystem crossing (RISC) capabilities are highly desirable for applications in high-efficiency organic light-emitting diodes. Herein, we report the synthesis as well as structural and photophysical properties of 5,9-diselena-13b-boranaphtho[3,2,1-de]anthracene (SeBSe) as a narrowband-emissive TADF material. The incorporation of two selenium atoms into the boron-fused pentacyclic π-core results in a small singlet-triplet energy gap (ΔE _ST) and thereby significant TADF properties. Moreover, theoretical calculations revealed a noticeable spin-orbit coupling enhancement between the singlet and triplet manifolds in SeBSe by virtue of the heavy-atom effect of selenium atoms. Consequently, SeBSe allows ultrafast spin-flip RISC with the rate constant surpassing 10⁸ s^-1, which far exceeds the corresponding fluorescence radiative decay rate (∼10⁶ s^-1), enabling an ideal singlet-triplet superimposed excited state.

Keywords: OLED; heavy atom effect; helicity; narrowband emission; selenaborin; spinorbit coupling; thermally activated delayed fluorescence.