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The odd-number cyclo[13]carbon and its dimer, cyclo[26]carbon
Science ( IF 56.9 ) Pub Date : 2024-05-09 , DOI: 10.1126/science.ado1399
Florian Albrecht 1 , Igor Rončević 2 , Yueze Gao 2 , Fabian Paschke 1 , Alberto Baiardi 3 , Ivano Tavernelli 3 , Shantanu Mishra 1 , Harry L. Anderson 2 , Leo Gross 1
Affiliation  

Molecular rings of N carbon atoms (cyclo[ N ]carbons, or C N ) are excellent benchmarking systems for testing quantum chemical theoretical methods and valuable precursors to other carbon-rich materials. Odd- N cyclocarbons, which have been elusive to date, are predicted to be even less stable than even- N cyclocarbons. We report the on-surface synthesis of cyclo[13]carbon, C 13 , by manipulation of decachlorofluorene with a scanning probe microscope tip. We elucidated the properties of C 13 by experiment and theoretical modeling. C 13 adopts an open-shell configuration with a triplet ground state and a kinked geometry, which shows different extents of distortion and carbene localization depending on the molecular environment. Moreover, we prepared and characterized the C 13 dimer, cyclo[26]carbon, demonstrating the potential of cyclocarbons and their precursors as building blocks for carbon allotropes.

中文翻译:

奇数环[13]碳及其二聚体环[26]碳

分子环碳原子(环[]碳,或C )是测试量子化学理论方法的优秀基准系统和其他富碳材料的有价值的前体。奇怪的-迄今为止,环碳化合物一直难以捉摸,预计其稳定性甚至比环碳化合物。我们报道了环[13]碳的表面合成,C13,通过用扫描探针显微镜尖端操作十氯芴。我们阐明了 C 的属性13通过实验和理论建模。 C13采用具有三重基态和扭结几何结构的开壳构型,根据分​​子环境显示出不同程度的变形和卡宾局域化。此外,我们还准备并表征了 C13二聚体,环[26]碳,展示了环碳及其前体作为碳同素异形体构建块的潜力。
更新日期:2024-05-09
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