Analysis of Local and Global Aromaticity in Si<sub>3</sub>C<sub>5</sub> and Si<sub>4</sub>C<sub>8</sub> Clusters. Aromatic Species Containing Planar Tetracoordinate Carbon

Analysis of Local and Global Aromaticity in Si<sub>3</sub>C<sub>5</sub> and Si<sub>4</sub>C<sub>8</sub> Clusters. Aromatic Species Containing Planar Tetracoordinate Carbon

The minimum energy structures of the Si<sub>3</sub>C<sub>5</sub> and Si<sub>4</sub>C<sub>8</sub> clusters are planar and contain planar tetracoordinate carbons (ptCs). These species have been classified, qualitatively, as global (π) and local (σ) aroma...

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Bibliographic Details
Main Authors: Juan J. Torres-Vega, Diego R. Alcoba, Ofelia B. Oña, Alejandro Vásquez-Espinal, Rodrigo Báez-Grez, Luis Lain, Alicia Torre, Víctor García, William Tiznado
Format: Article
Language:English
Published: MDPI AG 2021-09-01
Series:Chemistry
Subjects:
clusters
planar tetracoordinate carbon (ptC)
local and global aromaticity
chemical bonding
orbital localization
electron localization function (ELF)
Online Access:https://www.mdpi.com/2624-8549/3/4/80

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https://www.mdpi.com/2624-8549/3/4/80

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