Positional Isomeric Thiophene-Based π-Conjugated Chromophores:Synthesis,Structure,and Optical Properties  

作　　者：Huan Yi Xi Qin Lei Zhai Huiyuan Duan Huafeng Chen Yulan Zuo Xin Lian Kui Tian Jinling Zhang Zhengli Liu Peng Xu 

机构地区：[1]Department of Chemistry and Chemical Engineering,Chongqing University of Science and Technology,Chongqing 401331,P.R.China [2]School of Pharmaceutical Sciences,Chongqing University,Chongqing 401331,P.R.China

出　　处：《Precision Chemistry》2023年第9期548-554,共7页精准化学（英文）

基　　金：the National Natural Science Foundation of China(Grant Nos.21801031 and 22109016);the Natural Science Foundation Project of Chongqing(Grant Nos.2023NSCQ-MSX3187,cstc2019jcyjmsxmX0404,and cstc2020jcyj-msxmX0670);the Science and Technology Research Program of Chongqing Municipal Education Commission(Grant Nos.KJQN202301524 and KJQN202001525);the Foundation of Chongqing University of Science&Technology(Grant No.ckrc202212053).

摘　　要：A series of positional isomeric chromophores o-TC,m-TC,and p-TC,in which electron-rich thiophene moieties were connected byπ-conjugated bridges,were divergently synthesized and characterized.Single-crystal X-ray diffraction analysis revealed an intriguing zipper-like packing mode which was adopted by m-TC in the solid state.Subsequently,UV−vis absorption spectra and fluorescence spectra in a series of solvents were investigated.The nearly coplanar para isomer p-TC was found to have the most intense UV−vis absorption,fluorescence emission,and the highest photoluminescence quantum yield.The molecule structure,electronic nature,and origination of the absorption of p-TC were revealed through density functional theory calculations.Interestingly,all three positional isomers exhibited strong and stable electrochemiluminescence emission,which enriched the existing knowledge on the optical properties of thiophene-based oligomers.

关 键 词：Positional isomers Single-crystal structure UV−vis absorption Fluorescence emission ECL properties DFT simulations 

分 类 号：O62[理学—有机化学]