文献类型：期刊文献

英文题名：Substitution pattern controlled charge transport in BN-embedded aromatics-based single molecule junctions

作者：Wang, Rui[1,2];Song, Kai[3];Wei, Caiyun[4];Hong, Wenjing[4];Zang, Yaping[3];Qu, Dahui[1,2];Li, Hongxiang[1,2]

机构：[1]East China Univ Sci & Technol, Feringa Nobel Prize Scientist Joint Res Ctr, Inst Fine Chem,Frontiers Sci Ctr Materiobiol & Dy, Sch Chem & Mol Engn,Key Lab Adv Mat, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Feringa Nobel Prize Scientist Joint Res Ctr, Inst Fine Chem,Frontiers Sci Ctr Materiobiol & Dy, Sch Chem & Mol Engn,Joint Int Res Lab Precis Chem, Shanghai 200237, Peoples R China;[3]Chinese Acad Sci ICCAS, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China;[4]Xiamen Univ, Coll Chem & Chem Engn, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China

年份：2022

卷号：24

期号：4

起止页码：2227

外文期刊名：PHYSICAL CHEMISTRY CHEMICAL PHYSICS

收录：;EI(收录号：20220611586821);WOS:【SCI-EXPANDED(收录号:WOS:000741026000001)】；

基金：This work was supported by the National Natural Science Foundation of China (Grant no. 21875279, 21790362, 22075080, 22025503, 21790361), the Shanghai Municipal Science and Technology Major Project (Grant no. 2018SHZDZX03), the Fundamental Research Funds for the Central Universities, the Programme of Introducing Talents of Discipline to Universities (Grant no. B16017), and the Program of Shanghai Academic/Technology Research Leader (Grant no. 19XD1421100).

语种：英文

外文关键词：Fluorine compounds - Quantum interference devices

摘要：The understanding of charge transport at a single molecule level is a prerequisite for the fabrication of molecular devices. Here, the relationship between molecular conductance, substitution pattern and stimuli response in BN-embedded aromatics was systematically investigated using the break junction technique. It was found that the para-phenylthioether-anchored BN molecule (p-BN-p) shows the highest conductance of 10(-4.86)G(0), and the meta-phenylthioether-anchored BN molecule (m-BN-m) exhibits the lowest conductance which is lower than the instrument detection limit (G(0)). The m-BN-p and p-BN-m molecules, with both para- and meta-substituted anchor groups on two termini, show moderate conductances of 10(-5.50)G(0) and 10(-5.45)G(0), respectively. The conductance difference is interpreted as a distinct quantum interference effect caused by the substitution pattern of the anchoring groups. Notably, their conductance changes slightly upon coordination with a fluoride ion, in spite of the distinct change of their frontier orbital energy levels. These results demonstrate that, in addition to the frontier orbital energy levels, the anchors play an important role in the design of stimuli-responsive molecular electronic devices with a high on/off current ratio.