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Planar Hexacoordinate Carbons: Half Covalent, Half Ionic by Luis Leyva‐Parra; Luz Diego; Osvaldo Yañez; Diego Inostroza; Jorge Barroso; Alejandro Vásquez‐Espinal; Gabriel Merino; William Tiznado is a Chemistry article available to read on EtoBox.
What is Planar Hexacoordinate Carbons: Half Covalent, Half Ionic about?
## Abstract Herein, the first global minima containing a planar hexacoordinate carbon (phC) atom are reported. The fifteen structures belong to the CE~3~M~3~^+^ (E=S–Te and M=Li–Cs) series and satisfy both geometric and electronic criteria to be considered as a true phC. The design strategy consisted of replacing oxygen in the D~3h~ CO~3~Li~3~^+^ structure with heavy and less electronegative chalcogens, inducing a negative charge on the C atom and an attractive electrostatic interaction between C and the alkali‐metal cations. The chemical bonding analyses indicate that carbon is covalently bonded to three chalcogens and ionically connected to the three alkali metals.
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- Author
- Luis Leyva‐Parra; Luz Diego; Osvaldo Yañez; Diego Inostroza; Jorge Barroso; Alejandro Vásquez‐Espinal; Gabriel Merino; William Tiznado
- Publisher
- Wiley
- Published
- 2021
- Language
- EN
- Field
- Chemistry (Physical Sciences)