Constructing Narrowband Thermally Activated Delayed Fluorescence Materials with Emission Maxima Beyond 560 nm Based on Frontier Molecular Orbital Engineering
ChemRxiv(2021)
摘要
The development of purely organic materials
with narrowband emission in long wavelength region beyond 560 nm still remains
a great challenge. Herein, we present a modification approach of multiple
resonance (MR) skeleton with electron donor based on frontier molecular orbital
engineering (FMOE), resulting in significant
red-shift emission of target molecules. Subsequently, the parent MR
skeleton is functionalized by boron esterification
reaction and changed into a universal building block,
namely, the key intermediate BN-Bpin, for molecular structure optimizations. BN-Bpin
has been employed to construct a series of highly efficient thermally activated
delayed fluorescence (TADF) materials with high color purity through one-step
Suzuki coupling reaction. The target molecule perfectly integrates the inherent advantages of MR
skeleton and spatial separation typical donor–acceptor (D–A) structure. The results demonstrate that the ingenious modulation of the acceptor is an effective approach to
achieve bathochromic emission and narrowband emission simultaneously.
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