Steric and Conformational Effects in Molecular Junctions,Chemistry - An Asian Journal

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Steric and Conformational Effects in Molecular Junctions
Chemistry - An Asian Journal ( IF 3.5 ) Pub Date : 2025-02-12 , DOI: 10.1002/asia.202401831
Yuya Tanaka _{1,

2}

Affiliation

Molecular junctions, which comprise molecules bridging two electrodes, have emerged as valuable tools for investigating the conducting properties of molecules. Although electronic effects have been extensively investigated in molecular junctions, steric and conformational effects remain underexplored. Substituents, such as long alkyl chains, are frequently introduced into molecular backbones to facilitate synthesis or improve solubility. However, their effects on conductance and junction structure are frequently overlooked. Most junction studies have focused on rigid rod molecules; however, the conductance of flexible molecules can be modulated through conformational changes. The active harnessing of this structural flexibility enables effective conductance control. This review article discusses steric and conformational effects in molecular junctions, in terms of substituent effects, conformational dynamics, and mechanical manipulation, to elucidate their roles in molecular conductance.

中文翻译：

分子连接中的空间和构象效应

分子连接由桥接两个电极的分子组成，已成为研究分子导电特性的宝贵工具。尽管电子效应已在分子连接中得到广泛研究，但空间和构象效应仍未得到充分探索。取代基（如长烷基链）经常被引入分子骨架中，以促进合成或提高溶解度。然而，它们对电导和结结构的影响经常被忽视。大多数连接研究都集中在刚性棒分子上;然而，柔性分子的电导可以通过构象变化进行调节。积极利用这种结构灵活性可实现有效的电导控制。这篇综述文章从取代基效应、构象动力学和机械作方面讨论了分子连接中的空间和构象效应，以阐明它们在分子电导中的作用。

更新日期：2025-02-12

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