Planar Hypercoordinate Carbons in Alkali Metal Decorated CE3 2- and CE2 2- Dianions.

L, Leyva-Parra; L, Diego; D, Inostroza; O, Yañez; R, Pumachagua-Huertas; J, Barroso; A, Vásquez-Espinal; G, Merino; W, Tiznado

doi:10.1002/chem.202102864

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Planar Hypercoordinate Carbons in Alkali Metal Decorated CE3 2- and CE2 2- Dianions.

Shared by NobleBlocks on Oct 27, 2021 • 12:00 AM UTC

Authors:

Leyva-Parra L

Diego L

Inostroza D

Abstract

After exploring the potential energy surfaces of Mm CE2 p (E=S-Te, M=Li-Cs, m=2, 3 and p=m-2) and Mn CE3 q (E=S-Te, M=Li-Cs, n=1, 2, q=n-2) combinations, we introduce 38 new global minima containing a planar hypercoordinate carbon atom (24 with a planar tetracoordinate carbon and 14 with a planar pe...

Subject

Chemical bonding

Ab Initio Calculations

Cluster Compounds

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