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Planar Hexacoordinate Carbons: Half Covalent, Half Ionic
Author(s) -
LeyvaParra Luis,
Diego Luz,
Yañez Osvaldo,
Inostroza Diego,
Barroso Jorge,
VásquezEspinal Alejandro,
Merino Gabriel,
Tiznado William
Publication year - 2021
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.202100940
Subject(s) - hexacoordinate , chalcogen , covalent bond , alkali metal , ionic bonding , chemistry , crystallography , carbon fibers , atom (system on chip) , metal , inorganic chemistry , ion , materials science , organic chemistry , silicon , composite number , computer science , embedded system , composite material
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.