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Achieving highly efficient long-wavelength phosphorescence emission of large singlet-triplet energy gap materials by host-guest doping

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Science China Chemistry 2024年第6期67卷 1922-1928页

作者： Shasha Zhang Wei Yao Anqi Lv Kun Liu Yusheng Zhang Chifeng Zhou Huili Ma Huifang Shi Zhongfu An Key Laboratory of Flexible Electronics(KLOFE)&Institute of Advanced Materials(IAM) Nanjing Tech UniversityNanjing211816China

High-efficiency long-wavelength phosphorescence emissions of large singlet-triplet energy gap(ΔE_(ST))materials are essential for applications in biology and ***,few long-wavelength phosphorescence emissions of largeΔE_(ST)materials have been reported due to the weak spin-orbit coupling(SOC)and strong non-radiative ***,we develop a strategy to achieve highly efficient long-wavelength room temperature phosphorescence(RTP)emission of largeΔE_(ST)materials,which display bright red RTP emission with above 400μs lifetime and 6.5%phosphorescent quantum *** experiments and theoretical calculations reveal that the fishbone-like packing and the zig-zag interactions provide favorable conditions for suppressing the non-radiative transitions of triplet state excitons,and heavy atoms effectively promote the intersystem crossing(ISC)process for highly efficient long-wavelength phosphorescence *** universality of the method for highly efficient long-wavelength RTP emission of largeΔE_(ST)materials was further investigated in various ***,these materials with largeΔE_(ST)manifest the advantages of large color contrast on the display and utilization potentiality in information *** strategy paves the way for the high contrast display and development of information encryption with RTP emission.

关键词： room temperature phosphorescence singlet-triplet energy gap host-guest doping heavy atom effect red phosphorescence

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Molecular Design of Conjugated Small Molecule Nanoparticles for Synergistically Enhanced PTT/PDT

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Nano-Micro Letters 2020年第11期12卷 25-38页

作者： Wei Shao Chuang Yang Fangyuan Li Jiahe Wu Nan Wang Qiang Ding Jianqing Gao Daishun Ling Institute of Pharmaceutics and Hangzhou Institute of Innovative Medicine College of Pharmaceutical SciencesZhejiang UniversityHangzhou 310058ZhejiangPeople’s Republic of China Jiangsu Breast Disease Center The First Affiliated Hospital with Nanjing Medical UniversityNanjing 210029JiangsuPeople’s Republic of China

Simultaneous photothermal therapy(PTT)and photodynamic therapy(PDT)is beneficial for enhanced cancer therapy due to the synergistic *** materials developed for synergistic PTT/PDT are generally multicomponent agents that need complicated preparation procedures and be activated by multiple laser *** emerging monocomponent diketopyrrolopyrrole(DPP)-based conjugated small molecular agents enable dual PTT/PDT under a single laser irradiation,but suffer from low singlet oxygen quantum yield,which severely restricts the therapeutic ***,we report acceptor-oriented molecular design of a donor-acceptor-donor(D-A-D)conjugated small molecule(IID-ThTPA)-based phototheranostic agent,with isoindigo(IID)as selective acceptor and triphenylamine(TPA)as *** strong D-A strength and narrow singlet-triplet energy gap endow IID-ThTPA nanoparticles(IID-ThTPA NPs)high mass extinction coefficient(18.2 L g^-1 cm^-1),competitive photothermal conversion efficiency(35.4%),and a dramatically enhanced singlet oxygen quantum yield(84.0%)comparing with previously reported monocomponent PTT/PDT *** a high PTT/PDT performance of IID-ThTPA NPs achieved superior tumor cooperative eradicating capability in vitro and in vivo.

关键词： Molecular design Isoindigo Conjugated small molecule nanoparticles singlet-triplet energy gap Synergistic PTT/PDT

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Donor-Acceptor-Donor Compounds Bearing Highly-Fluorinated Closo-Carborane Acceptors as Potential Deep-Blue Color TADF Emitters, A Theoretical Study

Donor-Acceptor-Donor Compounds Bearing Highly-Fluorinated Cl...

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第十三届全国量子化学会议

作者： Chunyun Tu WanZhen Liang Department of Chemistry College of Chemistry and Chemical EngineeringXiamen University

TADF materials have been intensively explored as one of the most promising third-generation electrofluorescence materials for applications in modern organic light-emitting diode(OLED) devices in recent *** paper is devoted to theoretically study the effects of the size of closo-carborane cages and the extent of fluorination at them as well as different donors on the electrooptic properties of seemingly Donor-Acceptor-Donor frameworks by density functional theory(DFT)and time-dependent DFT(TD-DFT) approaches. 5, 6, 10, and 12 vertexes dicarbo-closo-carboranes are combined with typical electron donors(Carbazole, CBZ) to form new compounds. Their singlet-triplet energy gaps(ΔE) and first singlet excitation energies(E) are evaluated by TD-LC-ωPBE with the optimal value of ω. It is found that both the size of the cage and the extent of fluorination on the cage exhibit great impact on the optoelectronic properties. Small cages(5 and 6 vertexes)are associated with high E and too large ΔEST due to lack of space to tune their frontier orbitals, while large cages(10 and 12 vertexes) are associated with acceptable ΔEST and high-enough E due to ease in adjusting the electronic structures. Based on their singlet-triplet energy gaps, absorption energies and oscillator strengths, two types of compounds, CBZ-p-CBF-CBZ(m=2-8) and D-p(or m)-CBF-D(m=9-10;D=CBZ, MCBZ), are recommended as potential deep-blue TADF emitters.

关键词： OLED TADF singlet-triplet energy gap D-A-D

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