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熔融平面芴-芪骨架上增强的光吸收和辐射衰变率常数:实验与计算研究

Enhanced Photoabsorption and Radiative Decay Rate Constant on Fused Planar Fluorene-Stilbene Frameworks: Experimental and Computational Studies.

作者信息

Iwata Keisuke, Tsuji Hayato

机构信息

Department of Chemistry, Faculty of Science, Kanagawa University, 3-27-1 Rokkaku-bashi, Kanagawa-ku, Yokohama, 221-8686, Japan.

出版信息

Macromol Rapid Commun. 2025 Jun;46(12):e2401112. doi: 10.1002/marc.202401112. Epub 2025 Mar 3.

Abstract

This study reports the synthesis and characterization of two novel carbon-bridged oligo(phenylenevinylene) (COPV)-fluorene alternating fused molecules, FLCOPVFL and COPVFLCOPV, designed to enhance light absorption and emission in the blue spectral region. Both compounds exhibit high molar extinction coefficients, blue photoluminescence with quantum yields of 0.91 and 0.92, respectively, and large radiative decay rate constants. Computational studies reveal strong electronic interactions between COPV and fluorene units, resulting in enhanced transition oscillator strengths. Further comparative analysis of two coplanar π-conjugated systems, COPVs and ladder-type poly(p-phenylene)s, highlights the difference in conjugation propagation properties. These findings provide valuable insights for designing advanced π-conjugated systems with tailored optical and electronic functionalities, paving the way for their optoelectronic applications.

摘要

本研究报告了两种新型碳桥联聚对苯撑乙烯(COPV)-芴交替稠合分子FLCOPVFL和COPVFLCOPV的合成与表征,其设计目的是增强蓝光光谱区域的光吸收和发射。两种化合物均表现出高摩尔消光系数、分别具有0.91和0.92量子产率的蓝色光致发光以及大的辐射衰变率常数。计算研究揭示了COPV和芴单元之间强烈的电子相互作用,导致跃迁振子强度增强。对两个共面π共轭体系COPV和梯形聚对苯撑的进一步比较分析,突出了共轭传播性质的差异。这些发现为设计具有定制光学和电子功能的先进π共轭体系提供了有价值的见解,为其光电应用铺平了道路。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/229a/12183144/c4f58d87970f/MARC-46-2401112-g002.jpg

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