Quantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements

CORC > 化学研究所 > 中国科学院化学研究所 > 分子纳米结构与纳米技术实验室

	Quantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements
	Gantenbein, Markus 1; Wang, Lin 2,7,8; Al-jobory, Alaa A.3,4; Ismael, Ali K.5; Lambert, Colin J.3; Hong, Wenjing 2,6; Bryce, Martin R.1
刊名	SCIENTIFIC REPORTS
	2017-05-11
卷号	7
英文摘要	Is there a correlation between the (hetero)aromaticity of the core of a molecule and its conductance in a single molecular junction? To address this question, which is of fundamental interest in molecular electronics, oligo(arylene-ethynylene) (OAE) molecular wires have been synthesized with core units comprising dibenzothiophene, carbazole, dibenzofuran and fluorene. The biphenyl core has been studied for comparison. Two isomeric series have been obtained with 4-ethynylpyridine units linked to the core either at para-para positions (para series 1-5) or meta-meta positions (meta series 6-10). A combined experimental and computational study, using mechanically controlled break junction measurements and density functional theory calculations, demonstrates consistently higher conductance in the para series compared to the meta series: this is in agreement with increased conjugation of the pi-system in the para series. Within the para series conductance increases in the order of decreasing heteroaromaticity (dibenzothiophene < carbazole < dibenzofuran). However, the sequence is very different in the meta series, where dibenzothiophene approximate to dibenzofuran < carbazole. Excellent agreement between theoretical and experimental conductance values is obtained. Our study establishes that both quantum interference and heteroaromaticity in the molecular core units play important and inter-related roles in determining the conductance of single molecular junctions.
语种	英语
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/38381]
专题	化学研究所_分子纳米结构与纳米技术实验室
作者单位	1.Univ Durham, Dept Chem, Durham DH1 3LE, England 2.Univ Bern, Dept Chem & Biochem, Freiestr 3, CH-3012 Bern, Switzerland 3.Univ Lancaster, Dept Phys, Lancaster LA1 4YB, England 4.Anbar Univ, Coll Educ Pure Sci, Dept Phys, Anbar, Iraq 5.Tikrit Univ, Coll Educ Pure Sci, Dept Phys, Tikrit, Iraq 6.Xiamen Univ, Coll Chem & Chem Engn, Collaborat Innovat Ctr Chem Energy Mat, Dept Chem & Biochem Engn, Xiamen 361005, Peoples R China 7.Chinese Acad Sci, Inst Chem, Key Lab Mol Nanostruct & Nanotechnol, Beijing 100190, Peoples R China 8.Univ Chinese Acad Sci, Beijing, Peoples R China
推荐引用方式 GB/T 7714	Gantenbein, Markus,Wang, Lin,Al-jobory, Alaa A.,et al. Quantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements[J]. SCIENTIFIC REPORTS,2017,7.
APA	Gantenbein, Markus.,Wang, Lin.,Al-jobory, Alaa A..,Ismael, Ali K..,Lambert, Colin J..,...&Bryce, Martin R..(2017).Quantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements.SCIENTIFIC REPORTS,7.
MLA	Gantenbein, Markus,et al."Quantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements".SCIENTIFIC REPORTS 7(2017).