文献类型：期刊文献

英文题名：Enhancing π-π stacking by a halogen substituent in a single-molecule junction

作者：Li, Yingjie[1];Yan, Siyu[1];Geng, Meng[1];Li, Hongxiang[1]

机构：[1]East China Univ Sci & Technol, Feringa Nobel Prize Scientist Joint Res Ctr, Frontiers Sci Ctr Materiobiol & Dynam Chem, Sch Chem & Mol Engn,Key Lab Adv Mat,Inst Fine Chem, Shanghai 200237, Peoples R China

年份：2025

卷号：61

期号：46

起止页码：8419

外文期刊名：CHEMICAL COMMUNICATIONS

收录：;EI(收录号：20252118449934);WOS:【SCI-EXPANDED(收录号:WOS:001486906800001)】；

基金：This work was supported by the National Natural Science Foundation of China (grants 52273176, 21875279, 22075080), the Shanghai Municipal Science and Technology Major Project(grant 2018SHZDZX03), the Fundamental Research Funds for the Central Universities, and the East China University of Science and Technology.

语种：英文

摘要：Modulating pi-pi interactions and understanding their impact on charge transport at the molecular scale are critical for advancing supramolecular electronics. Herein, anthracene-based molecular wires (Py-X, X = H, F, Cl, Br) were synthesized and the effect of halogen substituents on pi-pi stacking was investigated. Experimental results revealed that Py-Br and Py-Cl form both monomer and pi-stacked dimer junctions, while Py-H and Py-F only form monomer junctions. The bromine substituent demonstrates a unique ability to promote pi-stacked dimer formation. This work provides a design strategy for the formation of pi-stacked dimmers in molecular junctions, and advances the development of supramolecular electronics.