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CAl<sub>4</sub>Mg<sup>0/−</sup>: Global Minima with a Planar Tetracoordinate Carbon Atom

Isomers of CAl<sub>4</sub>Mg and CAl<sub>4</sub>Mg<sup>−</sup> have been theoretically characterized for the first time. The most stable isomer for both the neutral and anion contain a planar tetracoordinate carbon (ptC) atom. Unlike the isovalent CAl<sub>4</sub>Be case, which contains a planar pent...

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Principais autores: Nisha Job, Maya Khatun, Krishnan Thirumoorthy, Sasanka Sankhar Reddy CH, Vijayanand Chandrasekaran, Anakuthil Anoop, Venkatesan S. Thimmakondu
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2021-04-01
Serier:Atoms
Fag:
CAl<sub>4</sub>Mg
CAl<sub>4</sub>Mg<sup>−</sup>
planar tetracoordinate carbon
<i>π</i>/<i>σ</i> double aromaticity
global minima
anti-van’t Hoff Le Bel
Online adgang:https://www.mdpi.com/2218-2004/9/2/24
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