Pressure-shortened delayed fluorescence lifetime of solid-state thermally activated delayed fluorescent 4CzIPN: the structure evolution

Abstract

The incorporation of mechanochromic luminescence into thermally activated delayed fluorescence (TADF) molecule is a promising strategy for developing multifunctional mechanochromic luminescent materials. Nevertheless, due to the difficulties in systematic design,...

Tandem High-Pressure Crystallography–Optical Spectroscopy Unpacks Noncovalent Interactions of Piezochromic Fluorescent Molecular Rotors

“…However, the structure–fluorescence relationships in organic rotors are underdeveloped, limiting the synthesis of bespoke fluorophores with predictable and tunable fluorescence. Recently, Yu, Gao, and Gu have reported high-pressure photophysical measurement of AIE materials supported by angle-dispersive X-ray diffraction to measure changes in unit cell dimensions. , Here, we monitor structural changes at the molecular level, correlating precise changes in molecular geometry and intermolecular distances with optical properties of AIE materials through a combination of atomically resolved X-ray crystallographic measurements and electronic spectroscopy under high pressure. We examine the structure–fluorescence relationships in Ph 7 C 7 H by tandem single-crystal X-ray diffraction, fluorescence emission spectroscopy, and UV–visible absorption spectroscopy measurements under high hydrostatic pressure conditions.…”

A molecular descriptor of a shallow potential energy surface for the ground state to achieve narrowband thermally activated delayed fluorescence emission

“…The computational results showed that changes in the bond length played a major role in the recombination energy of these highly conjugated aromatic molecules, and the source of the large recombination energy could be explained from the perspective of molecular orbitals; 29 researchers have also made significant efforts to improve the color purity of TADF molecules. [30][31][32][33][34][35] However, there is still a lack of theoretical research on the internal physical factors of FWHM, which hinders a true understanding of the internal mechanisms for improving color purity of luminescence molecules. Therefore, we believe that a time-saving and effective strategy is to fundamentally understand the influencing factors of FWHM through theoretical analyses.…”

“…The computational results showed that changes in the bond length played a major role in the recombination energy of these highly conjugated aromatic molecules, and the source of the large recombination energy could be explained from the perspective of molecular orbitals; 29 researchers have also made significant efforts to improve the color purity of TADF molecules. 30–35…”