Removing the Destructive Quantum Interference in Cross Conjugation System by Structural Restraint  

作　　者：QU Kai PAN Zi-You WANG Jin-Yun ZHANG Bochao ZENG Hao SANG Yu-Feng ZHANG Qian-Chong CHEN Zhong-Ning 

机构地区：[1]College of Chemistry,Fuzhou University,Fuzhou,350108,P.R.China [2]State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences,Fuzhou,350002,P.R.China [3]Department of Pharmacy,Xiamen Medical College,Xiamen,361005,P.R.China [4]School of Physical Science and Technology,ShanghaiTech University,Shanghai,201210,P.R.China [5]Fujian Science&Technology Innovation Laboratory for Optoelectronic Information of China,Fuzhou,350108,P.R.China [6]University of Chinese Academy of Sciences,Beijing,100049,P.R.China

出　　处：《Chemical Research in Chinese Universities》2023年第2期224-227,共4页高等学校化学研究（英文版）

基　　金：National Natural Science Foundation of China(No.92061117);Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB20000000);Project of the Fujian Science&Technology Innovation Laboratory for Optoelectronic Information of China(No.2021ZR129);Natural Science Foundation of Fujian Province,China(No.2020J01110).

摘　　要：Understanding the quantum effect in the cross-conjugated system is of fundamental significance in molecular electronics.In this study,four molecules Xa-O,Xa,BP and BP-O were synthesized to investigate the destructive quantum interference(DQI)of a carbonyl bridge.The single-molecule conductance measured by the scanning tunneling microscope break junction(STM-BJ)technique demonstrates an increase in the conductance from molecule BP-O to molecule Xa-O as the cross-conjugated system is extended.Theoretical calculations show that the explicit DQI feature is presented in BP-O but absent in Xa-O,which indicates the removal of DQI in the restrained structures and results in the conductance enhancement in Xa-O.

关 键 词：Single-molecule conductance Cross conjugation Quantum interference CARBONYL Conductance enhancement 

分 类 号：O413[理学—理论物理]