The investigation of large and flexible macrocyclic compounds has garnered significant attention due to their functions as host molecules and linkers. Although the synthetic yields of such compounds, achieved by linking two molecular fragments, are often hindered by the flexibility of the molecular skeleton, one of the effective solutions is template synthesis for the macrocycles. In this study, a novel template synthesis for disilacycloalkanes by leveraging the reactivity of a siloxane bond was investigated. The yields obtained through the template methods surpassed those of the nontemplate approach, and the introduction of substituents to the silicon atoms was also accomplished with success. All of the resulting disilacycloalkanes crystallized exceptionally well, enabling their structural determination through X-ray crystallography. Notably, the stability of these structures was elucidated by analyzing dispersion forces between alkyl chains, using density functional theory (DFT) calculations. This template synthesis method demonstrates its efficacy in synthesizing molecular systems that encompass two functional moieties linked with macroalkanes.

中文翻译：

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利用硅氧烷键的反应性模板合成二硅杂环烷烃

大型柔性大环化合物的研究由于其作为主体分子和连接体的功能而引起了广泛关注。尽管通过连接两个分子片段实现的此类化合物的合成产率常常受到分子骨架的灵活性的阻碍，但有效的解决方案之一是大环的模板合成。在本研究中，研究了利用硅氧烷键的反应性合成二硅杂环烷烃的新型模板。通过模板法获得的产率超过了非模板法，并且在硅原子上引入取代基也成功完成。所得的所有二硅杂环烷烃均结晶得非常好，从而能够通过 X 射线晶体学测定其结构。值得注意的是，这些结构的稳定性是通过使用密度泛函理论（DFT）计算分析烷基链之间的分散力来阐明的。该模板合成方法证明了其在合成包含与大烷烃连接的两个功能部分的分子系统方面的功效。