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 

作者机构：Department of Chemistry and Chemical EngineeringChongqing University of Science and TechnologyChongqing 401331P.R.China School of Pharmaceutical SciencesChongqing UniversityChongqing 401331P.R.China 

出 版 物：《Precision Chemistry》 (精准化学（英文）)

年 卷 期：2023年第1卷第9期

页      面：548-554页

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

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) 

主　　题：Positional isomers Single-crystal structure UV−vis absorption Fluorescence emission ECL properties DFT simulations 

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 ***-crystal X-ray diffraction analysis revealed an intriguing zipper-like packing mode which was adopted by m-TC in the solid ***,UV−vis absorption spectra and fluorescence spectra in a series of solvents were *** nearly coplanar para isomer p-TC was found to have the most intense UV−vis absorption,fluorescence emission,and the highest photoluminescence quantum *** molecule structure,electronic nature,and origination of the absorption of p-TC were revealed through density functional theory ***,all three positional isomers exhibited strong and stable electrochemiluminescence emission,which enriched the existing knowledge on the optical properties of thiophene-based oligomers.