Removing the Destructive Quantum Interference in Cross Conjugation System by Structural Restraint
CHEMICAL RESEARCH IN CHINESE UNIVERSITIES(2023)
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.
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关键词
Single-molecule conductance,Cross conjugation,Quantum interference,Carbonyl,Conductance enhancement
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