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Published on: October 6, 2023
Globally stabilized bent carbon-carbon triple bond by hydrogen-free inorganic-metallic scaffolding Al4F6
Ying-Ying Xue1, Ying Zhang1, Zhong-Hua Cui2
1Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University Changchun 130023 P. R. China yhdd@jlu.edu.cn.
Abstract:
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, i.e., C2Al4F6-01, which is the energetically global minimum isomer and bears an inorganic-metallic scaffolding and unexpected click reactivity.
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