Leyva-Parra, L.Diego, L.Yañez, O.Inostroza, D.Barroso, JVásquez-Espinal, A.Merino, G.Tiznado, W.2021-05-142021-05-142021-04Angewandte Chemie - International Edition, Volume 60, Issue 16, 12 April 2021, Pages 8700-870414337851http://repositorio.unab.cl/xmlui/handle/ria/18857Indexación ScopusHerein, the first global minima containing a planar hexacoordinate carbon (phC) atom are reported. The fifteen structures belong to the CE3M3+ (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 D3h CO3Li3+ 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. © 2021 Wiley-VCH GmbHenBoronNatural DensityGlobal MinimumPlanar hexacoordinate carbonPlanar tetracoordinate carbonArtículo10.1002/anie.202100940