Conformational Relaxation and Thermally Activated Delayed Fluorescence in Anthraquinone-Based Intramolecular Charge-Transfer Compound

CORC > 化学研究所 > 中国科学院化学研究所 > 其它

	Conformational Relaxation and Thermally Activated Delayed Fluorescence in Anthraquinone-Based Intramolecular Charge-Transfer Compound
	Kuang, Zhuoran; He, Guiying; Song, Hongwei; Wang, Xian; Hu, Zhubin; Sun, Haitao; Wan, Yan; Guo, Qianjin; Xia, Andong
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	FEB 22 2018
卷号	122 期号:7 页码:3727-3737
英文摘要	A novel donor-pi-acceptor-pi-donor-type (D-pi-A-pi-D-type) chromophore, 2,6-bis[4-(diphenylamino)phenyl]-9,10-anthraquinone (AQ(PhDPA)(2)), has been reported as an efficient red thermally activated delayed fluorescence (TADF) emitter. Molecular structure and conformation, which directly determine the nature of excited states of a TADF emitter, are critical for obtaining efficient reverse intersystem crossing (rISC) and TADF. In this work, a series of excited-state deactivation processes of AQ(PhDPA)(2), from the optical excitation to fluorescence and TADF emitting, have been investigated by theoretical calculations and ultrafast transient absorption (TA) spectroscopy. Theoretical calculations and steady-state spectra suggest that the TADF emitter appears to have conformational twisting in the excited state. Both the relaxed S-0 and S-1 conformations have a small energy difference between the lowest singlet and triplet excited states (Delta E-ST) in favor of rISC, whereas Delta E-ST increases at the relaxed T-1 conformation. Ultrafast TA spectra reveal that the intramolecular charge transfer (ICT) state of AQ(PhDPA)(2) emits efficient fluorescence after a solvation-stabilization process in nonpolar toluene, while the fluorescence from the solvation-induced conformational relaxed ICT state is quenched in polar tetrahydrofuran. Additionally, we further reveal that the suppression of the conformational relaxation in long-lived triplet states contributes to maintaining a small LEST, which is critical for efficient rISC and TADF. These results provide a guidance for understanding the relationship between TADF and conformational relaxation dynamics, as well as for designing and synthesizing advanced TADF emitters.
WOS记录号	WOS:000426221200006
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/38758]
专题	化学研究所_其它
推荐引用方式 GB/T 7714	Kuang, Zhuoran,He, Guiying,Song, Hongwei,et al. Conformational Relaxation and Thermally Activated Delayed Fluorescence in Anthraquinone-Based Intramolecular Charge-Transfer Compound[J]. JOURNAL OF PHYSICAL CHEMISTRY C,FEB ,122(7):3727-3737.
APA	Kuang, Zhuoran.,He, Guiying.,Song, Hongwei.,Wang, Xian.,Hu, Zhubin.,...&Xia, Andong.(FEB ).Conformational Relaxation and Thermally Activated Delayed Fluorescence in Anthraquinone-Based Intramolecular Charge-Transfer Compound.JOURNAL OF PHYSICAL CHEMISTRY C,122(7),3727-3737.
MLA	Kuang, Zhuoran,et al."Conformational Relaxation and Thermally Activated Delayed Fluorescence in Anthraquinone-Based Intramolecular Charge-Transfer Compound".JOURNAL OF PHYSICAL CHEMISTRY C 122.7(FEB ):3727-3737.