Synthesis of cyclo[18]carbon via debromination of C18Br6,Journal of the American Chemical Society

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Synthesis of cyclo[18]carbon via debromination of C18Br6
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2020-07-10 , DOI: 10.1021/jacs.0c05033
Lorel M Scriven ₁ , Katharina Kaiser ₂ , Fabian Schulz ₂ , Alistair J Sterling ₁ , Steffen L Woltering ₁ , Przemyslaw Gawel ₁ , Kirsten E Christensen ₁ , Harry L Anderson ₁ , Leo Gross ₂

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Cyclo[18]carbon (C18, a molecular carbon allotrope) can be synthesized by dehalogenation of a bromocyclocarbon precursor, C18Br6, in 64% yield, by atomic manipulation on a sodium chloride bilayer on Cu(111) at 5 K, and imaged by high-resolution atomic force microscopy. This method of generating C18 gives a higher yield than that reported previously from the cyclocarbon oxide C24O6. The experimental images of C18 were compared with simulated images for four theoretical model geometries, including possible bond-angle alternation: D18h cumulene, D9h polyyne, D9h cumulene, and C9h polyyne. Cumulenic structures, with (D9h) and without (D18h) bond-angle alternation, can be excluded. Polyynic structures, with (C9h) and without (D9h) bond-angle alternation, both show a good agreement with the experiment and are challenging to differentiate.

中文翻译：

C18Br6脱溴合成环[18]碳

环 [18] 碳（C18，分子碳同素异形体）可以通过溴环碳前体 C18Br6 的脱卤合成，产率为 64%，通过在 5K 下对 Cu(111) 上的氯化钠双层进行原子操作，并通过以下方式成像高分辨率原子力显微镜。这种生成 C18 的方法的产率高于先前从环碳氧化物 C24O6 报道的产率。将 C18 的实验图像与四种理论模型几何形状的模拟图像进行了比较，包括可能的键角交替：D18h 异丙苯、D9h 聚炔、D9h 异丙苯和 C9h 聚炔。可以排除具有 (D9h) 和不具有 (D18h) 键角交替的累积结构。具有 (C9h) 和不具有 (D9h) 键角交替的 Polyynic 结构都显示出与实验的良好一致性，并且难以区分。

更新日期：2020-07-10

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