Jump to main content
Jump to site search

Issue 18, 2020
Previous Article Next Article

Enhanced charge transport via d(δ)–p(π) conjugation in Mo2-integrated single-molecule junctions

Author affiliations

Abstract

A trans-dimolybdenum nicotinate (m-Mo2) complex and its isonicotinate isomer (p-Mo2) were synthesized and characterized crystallographically, and their single-molecule charge transport properties were investigated using the STM break junction (STM-BJ) technique. With a quadruply bonded Mo2 complex unit integrated into molecular backbones, the single-molecule conductance for complex molecules was increased by more than one order of magnitude compared with that of the organic π-conjugated analogues 1,4-bis(4-pyridyl)benzene (p-Ph) and 1,4-bis(3-pyridyl)benzene (m-Ph). More interestingly, unlike m-Ph, m-Mo2 with meta connected pyridyl anchors presents larger conductance than that of p-Mo2 with two para connected pyridyl groups. DFT-based transmission calculations revealed that the significant conductance enhancement of Mo2 molecules originates from the largely reduced HOMO–LUMO gap, and the unique d(δ)–p(π) conjugation between the Mo2 unit and the pyridine rings gives rise to a delocalized electronic structure that endows the Mo2 molecules with an unexpected high conductance.

Graphical abstract: Enhanced charge transport via d(δ)–p(π) conjugation in Mo2-integrated single-molecule junctions

Back to tab navigation

Supplementary files

Article information


Submitted
08 Jan 2020
Accepted
12 Apr 2020
First published
13 Apr 2020

Nanoscale, 2020,12, 10320-10327
Article type
Paper

Enhanced charge transport via d(δ)–p(π) conjugation in Mo2-integrated single-molecule junctions

M. Meng, Z. Tang, S. Mallick, M. H. Luo, Z. Tan, J. Liu, J. Shi, Y. Yang, C. Y. Liu and W. Hong, Nanoscale, 2020, 12, 10320
DOI: 10.1039/D0NR00195C

Social activity

Search articles by author

Spotlight

Advertisements