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Aggregate 2021年第5期2卷 151-170页

作者： Qian Peng Zhigang Shuai School of Chemical Sciences University of Chinese Academy of SciencesBeijingChina Kay Laboratory of Organic Solids and Beijing National Laboratory for Molecular Science Institute of ChemistryChinese Academy of SciencesBeijingChina MOE Key Laboratory of Organic OptoElectronics and Molecular Engineering Department of ChemistryTsinghua UniversityBeijingChina

Deep understanding of the inherent luminescence mechanism is essential for the development of aggregation-induced emission(AIE)materials and *** first note that the intermolecular excitonic coupling is much weaker in strength than the intramolecular electron-vibration coupling for a majority of newly termed AIEgens,which leads to the emission peak position insensitive to excitonic coupling,hence the conventional excitonic model for J-aggregation cannot effectively explain their AIE ***,using multiscale computational approach coupled with our self-developed thermal vibration correlation function rate formalism and transition-state theory,we quantitatively investigate the aggregation effect on both the radiative and the nonradiative decays of molecular excited *** radiative decay processes,we propose that the lowest excited state could convert from a transition dipole-forbidden“dark”state to a dipole-allowed“bright”state upon *** the radiationless processes,we demonstrate the blockage of nonradiative decay via vibration relaxation(BNR-VR)in harmonic region or the removal of nonradiative decay via isomerization(RNR-ISO)or minimum energy crossing point(RNR-MECP)beyond harmonic region in a variety of AIE *** theoretical work not only justifies a plethora of experimental results but also makes reliable predictions on molecular design and mechanism that can be experimentally *** forward,we believe this review will benefit the deep understanding about the universality of AIE phenomenon and further extending the scope of AIE systems with novel applications.

关键词： aggregation-induced emission dipole-allowed bright state minimum energy crossing point nonradiative decay vibration relaxation

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Effects of Yb^3＋ in Er^3＋/Yb^3＋ Codoped Fluorophosphate Glasses

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Chinese Physics Letters 2007年第4期24卷 1062-1065页

作者：廖梅松房永征胡丽丽张丽艳 Shanghai Institute of Optics and Fine Mechanics Chinese Academy of Sciences Shanghai 201800 College of Information Engineering China Jiliang University Hangzhou 310018

For the Er^3＋ /Yb^3＋ codoped fluorophosphate glasses, Judd-Ofelt theory is used to analyse the influence of YbF3 as not a sensitizer but an average component on the spectroscopic properties around 1530nm emission. The double roles of Yb^3＋, as a sensitizer and as an average component, are discussed. It is found that Yb^3＋ as an average component contributes to the increase of fluorescence lifetime, and Yb^3＋ as a sensitizer has the best sensitization when its concentration is 2.4 mol%.

关键词： RARE-EARTH IONS nonradiative decay SPECTRAL PROPERTIES TELLURITE GLASSES SILICATE-GLASSES ND3+ IONS ER3+ INTENSITIES TRANSITION MATRIX

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The effect from modified ligand and systematic deuteriation to the photophysical behaviors of transition metal complex OLED materials

The effect from modified ligand and systematic deuteriation ...

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第一届全国光功能材料青年学者研讨会2018

作者： Fu-Quan Bai International Joint Research Laboratory of Nano-Micro Architecture Chemistry Institute of Theoretical ChemistryJilin University

In recent years, the cyclometalated Pt(Ⅱ) and Ir(Ⅲ) complexes with different ligands have been used as prospective blue phosphorescent materials. For improving this material further, the introduction of o-carborane is treated as an excellent strategy to promote the luminescent efficiency for Pt complexes. A series of new materials show over 82% phosphorescence quantum yield and good stability, but still it is not elucidated in the round. In my work, stable o-carborane cages are introduced into the traditional C,N,C-cyclometalated Pt(Ⅱ)complexes in turn to explore its influence completely in contrast to original phenyl ligand from the view of theoretical investigation. Unlike traditional strategies on enhancing the radiative decay process, or reducing the non-radiative decay process, through cumbersome ligands decorations, our simple and controllable deuteriation strategy which is insensitive to the radiative decay process, enable to suppress the non-radiative decay process by almost a half for homoleptic or heteroleptic Ir(Ⅲ) complexes. At present, with the improvement of computational ability, theoretical calculations can obtain strictly consistent results with experiments at the single molecule level and accurately predict the design and potential of new materials. The strategies mentioned above can provide a viable guideline for design and regulate several aspects of highly efficient blue phosphorescent materials.

关键词： Theoretical calculation Luminescent quantum efficiency nonradiative decay Reorganization energy Spin orbital coupling

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