Regularly Tuning Quantum Interference in Single-Molecule Junctions through Systematic Substitution of Side Groups with Varied Electron Effects  

作　　者：Xianjing Xie Yirong Zhang Junrui Zhang Xingyuan Cui Wei Liu Xunshan Liu 

机构地区：[1]Key Laboratory of Surface&Interface Science of Polymer Materials of Zhejiang Province,School of Chemistry and Chemical Engineering,Zhejiang Sci-Tech University,928 Second Street,Hangzhou,Zhejiang,310018 China [2]State Key Laboratory of Rare Earth Resource Utilization,Changchun Institute of Applied Chemistry,Chinese Academy of Sciences,Changchun,Jilin,130022 China [3]School of Materials Science and Engineering,Nanjing University of Science and Technology,Nanjing,Jiangsu,210094 China

出　　处：《Chinese Journal of Chemistry》2024年第11期1217-1222,共6页中国化学（英文版）

基　　金：supported by the National Natural Science Foundation of China(22105172);the Natural Science Foundation of Zhejiang Province(LQ22B040003);the Fundamental Research Funds of Zhejiang Sci-Tech University(21062113-Y).

摘　　要：Investigating the quantum interference effect in single molecules is essential to comprehensively understand the underlying mechanism of single-molecule charge transport.In this study,we employed the mother molecule m-OPE and introduced a series of side groups with various electronic effects at the 2-position of the central phenyl ring,creating four daughter m-OPE derivatives.The single molecular conductivities of these molecule wires were measured using the scanning tunneling microscope breaking junction technique.Our findings demonstrate that the substitutions regularly modulate the destructive quantum interference occurring within the m-OPE molecules.By combining optical and electrochemical investigations,along with density functional theory computations,we discover that the conductivity of the molecules corresponds to the electron-donating/withdrawing ability of the substituents.Specifically,by adjusting the electron structures of the molecular backbone,we can systematically tailor the destructive quantum interference in the m-OPE molecules.

关 键 词：Quantum interference Single-molecule junctions Electron effect substituents Charge transport Molecular devices 

分 类 号：O41[理学—理论物理]