通过无氢无机金属支架AlF实现全球稳定的弯曲碳-碳三键
Globally stabilized bent carbon-carbon triple bond by hydrogen-free inorganic-metallic scaffolding AlF.
作者信息
Xue Ying-Ying, Zhang Ying, Cui Zhong-Hua, Ding Yi-Hong
机构信息
Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University Changchun 130023 P. R. China
Institute of Atomic and Molecular Physics, Jilin University Changchun 130023 P. R. China
出版信息
RSC Adv. 2020 Jul 3;10(42):25275-25280. doi: 10.1039/d0ra02280b. eCollection 2020 Jun 29.
For over 100 years, known bent C[triple bond, length as m-dash]C compounds have been limited to those with organic (I) and all-carbon (II) scaffoldings. Here, we computationally report a novel type (III) of bent C[triple bond, length as m-dash]C compound, , CAlF-01, which is the energetically global minimum isomer and bears an inorganic-metallic scaffolding and unexpected click reactivity.
100多年来，已知的弯曲C≡C化合物仅限于具有有机（I）和全碳（II）骨架的那些。在这里，我们通过计算报告了一种新型（III）弯曲C≡C化合物，即CAlF-01，它是能量上的全局最小异构体，具有无机金属骨架和意想不到的点击反应活性。
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