Planar Tetracoordinate Carbons in Allene-Type Structures
The journal of physical chemistry A/The journal of physical chemistry A(2021)
摘要
The exhaustive exploration of the potential energy surfaces of CE2M2 (E = Si-Pb, M = Li, and Na) revealed seven global minima containing a planar tetracoordinate carbon (ptC). The design was based on a π-localization strategy, resulting in a ptC embedded in a linear or a bent allene-type E=C=E motif. The magnetic response showed a σ-aromaticity in the bent E=C=E fragments. The bonding analysis indicated that the ptCs form C-E covalent bonds and C-M electrostatic interactions.
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