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Planar Tetracoordinate Carbons in Allene-Type Structures

preprint
submitted on 04.02.2021, 20:00 and posted on 05.02.2021, 12:49 by Meng-hui Wang, Mesias Orozco-Ic, luis leyva-parra, William Tiznado, jorge barroso, Yi-hong Ding, Zhong-hua Cui, Gabriel Merino

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.

History

Email Address of Submitting Author

iqbarroso@gmail.com

Institution

Cinvestav Mérida

Country

México

ORCID For Submitting Author

0000-0002-9715-8693

Declaration of Conflict of Interest

No conflict of interest

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