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Updated: Jun 17, 2026

Accessing Valuable Ligand Supports for Transition Metals: A Modified, Intermediate Scale Preparation of 1,2,3,4,5-Pentamethylcyclopentadiene
Published on: March 20, 2017
Tuning of single-molecule conductance via regioisomerism and desilylation in (η5-Cp)Co(η4-Cb) complexes
Ye-Hao Ding1, Xin Zuo2, Yu-Han Dai1
1Key Laboratory of Molecule Synthesis and Function Discovery, Fujian Province University, College of Chemistry at Fuzhou University, Fuzhou, Fujian, 350108, China. yanjianfeng@fzu.edu.cn.
Abstract:
Precise control over single-molecule electron transport is the core task in realizing molecular-based devices. Here we synthesize a series of regioisomers and achieve bidirectional conductance control in an (η5-Cp)Co(η4-Cb) molecular junction through regioisomerism and molecular editing (desilylation). Desilylation increases the conductance of the para-isomer by ∼300% but decreases that of the ortho-isomer by ∼65%. Combined DFT and flicker noise spectroscopy reveal that planarization enhances interfacial coupling during desilylation of the para-configuration, while desilylation weakens through-space coupling in the ortho-isomer by reducing LUMO orbital overlap. This work establishes a design strategy that synergistically combines regioisomerism and molecular editing to regulate charge transport in molecular junctions.
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