Structure and Bonding Patterns in C<sub>5</sub>H<sub>4</sub> Isomers: Pyramidane, Planar Tetracoordinate Carbon, and Spiro Molecules

Structure and Bonding Patterns in C<sub>5</sub>H<sub>4</sub> Isomers: Pyramidane, Planar Tetracoordinate Carbon, and Spiro Molecules

We have theoretically investigated nine unusual isomers of the molecular formula C<sub>5</sub>H<sub>4</sub> using coupled cluster (CC) and density functional theory (DFT) methods. These molecules possess non-classical structures consisting of two pyramidanes, three planar tet...

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Bibliographic Details
Main Authors: Sayon Satpati, Tarun Roy, Sandip Giri, Anakuthil Anoop, Venkatesan S. Thimmakondu, Subhas Ghosal
Format: Article
Language:English
Published: MDPI AG 2023-06-01
Series:Atoms
Subjects:
C<sub>5</sub>H<sub>4</sub>
DFT
coupled cluster
pyramidane
ptC
spiro
Online Access:https://www.mdpi.com/2218-2004/11/6/96

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https://www.mdpi.com/2218-2004/11/6/96

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