Albrecht Florian, Rončević Igor, Gao Yueze, Paschke Fabian, Baiardi Alberto, Tavernelli Ivano, Mishra Shantanu, Anderson Harry L, Gross Leo
IBM Research Europe - Zürich, 8803 Rüschlikon, Switzerland.
Department of Chemistry, Oxford University, Chemistry Research Laboratory, Oxford, UK.
Science. 2024 May 10;384(6696):677-682. doi: 10.1126/science.ado1399. Epub 2024 May 9.
Molecular rings of carbon atoms (cyclo[]carbons, or C) are excellent benchmarking systems for testing quantum chemical theoretical methods and valuable precursors to other carbon-rich materials. Odd- cyclocarbons, which have been elusive to date, are predicted to be even less stable than even- cyclocarbons. We report the on-surface synthesis of cyclo[13]carbon, C, by manipulation of decachlorofluorene with a scanning probe microscope tip. We elucidated the properties of C by experiment and theoretical modeling. C 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 dimer, cyclo[26]carbon, demonstrating the potential of cyclocarbons and their precursors as building blocks for carbon allotropes.
由碳原子构成的分子环（环碳，即C）是测试量子化学理论方法的优秀基准体系，也是其他富碳材料的重要前体。奇数环碳至今仍难以捉摸，据预测其稳定性甚至比偶数环碳更低。我们通过用扫描探针显微镜针尖操纵十氯芴，报道了环[13]碳（C）的表面合成。我们通过实验和理论建模阐明了C的性质。C采用具有三重态基态的开壳层构型和扭结几何结构，根据分子环境的不同，其扭曲程度和卡宾定位程度也有所不同。此外，我们制备并表征了C二聚体——环[26]碳，证明了环碳及其前体作为碳同素异形体构建单元的潜力。
