Hydroxyl Group as the 'Bridge' to Enhance the Single-Molecule Conductance by Hyperconjugation.

Xin Lv, Chang Li, Meng-Meng Guo, Wenjing Hong, Li-Chuan Chen, Qian-Chong Zhang, Zhong-Ning Chen

Abstract read

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Article in Molecules (Basel, Switzerland), 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

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1citing papers in PubMed

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1 citing paper in PubMed.

Theoretical determination of electronic properties of resorcinol and hydroquinone as building blocks of molecular wires.RSC advances · 2025
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Authors and funding

7 authors.

Xin LvKey Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China.

Chang LiKey Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China.

Meng-Meng GuoKey Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China.

Wenjing HongState Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.

Li-Chuan ChenState Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.

Qian-Chong ZhangKey Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China.ORCID 0000-0001-9701-0106

Zhong-Ning ChenKey Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China.ORCID 0000-0003-3589-3745

Funding

the National Natural Science Foundation of China 22371281the Self-deployment Project Research Program of Haixi Institutes, Chinese Academy of Sciences CXZX-2022-JQ09

6 · The paper itself

Abstract

For designing single-molecule devices that have both conjugation systems and structural flexibility, a hyperconjugated molecule with a σ-π bond interaction is considered an ideal candidate. In the investigation of conductance at the single-molecule level, since few hyperconjugation systems have been involved, the strategy of building hyperconjugation systems and the mechanism of electron transport within this system remain unexplored. Based on the skipped-conjugated structure, we present a rational approach to construct a hyperconjugation molecule using a hydroxyl group, which serves as a bridge to interact with the conjugated fragments. The measurement of single-molecule conductance reveals a two-fold conductance enhancement of the hyperconjugation system having the 'bridging' hydroxyl group compared to hydroxyl-free derivatives. Theoretical studies demonstrate that the hydroxyl group in the hyperconjugation system connects the LUMO of the two conjugated fragments and opens a through-space channel for electron transport to enhance the conductance.

Indexed as

conductance enhancementhydroxylhyperconjugationsingle-molecule conductance

Identifiers

PMID38893316

DOI10.3390/molecules29112440

PMCPMC11173964

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