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Planar Hexacoordinate Carbons: Half Covalent Half Ionic

preprint
submitted on 27.11.2020, 23:22 and posted on 01.12.2020, 05:56 by luis leyva-parra, Luz Diego, Osvaldo Yañez, Diego Inostroza, jorge barroso, alejandro vásquez-espinal, Gabriel Merino, William Tiznado
The global minima of thirteen combinations of atoms with formula CE3M3+ (E=S-Te and M=Li-Cs) adopt a planar structure with carbon covalently bonded to three chalcogens and ionically bonded to the three alkali-metals to stabilize the first global minima structures containing planar hexacoordinate carbon atoms.

Funding

Fondecyt 1181165

SEP-Cinvestav.2018-57

History

Email Address of Submitting Author

jorge.barroso@cinvestav.mx

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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