Searching for systems with planar hexacoordinate carbons

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Date

2023

Document type

Artículo

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Investigación
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Authors

Inostroza, Diego, Leyva Parra, Luis., Yáñez Osses, Osvaldo Andrés., Solar Encinas, José., Vásquez Espinal, Alejandro., Valenzuela, Maria Luisa, Tiznado, William

Faculty

Facultad de Ingeniería y Negocios

Publisher

MDPI

URI

http://repositorio.udla.cl/xmlui/handle/udla/1347, https://www.mdpi.com/journal/atoms

DOI

10.3390/atoms11030056

Keywords

Chemical bonding analysis, DFT computations, Global minima, Kinetic stability

Citation

Atoms, 11(3), 10 p.

Extent

10 páginas
2.670Mb

Abstract

Here, we present evidence that the D2h M2C50/2+ (M = Li-K, Be-Ca, Al-In, and Zn) species comprises planar hexacoordinate carbon (phC) structures that exhibit four covalent and two electrostatic intera...

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