C(P)42+: a viable planar tetracoordinate carbon species

Tetrahedral carbon is a well-accepted structural motif. Theory has paved the way for many rule-breaking planar tetracoordinate carbon structures. Herein, we have explored the possibility of phosphorous supported carbon cluster C(P4)2+ to locate a planar tetracoordinate carbon centre (ptC). Our calcu...

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Published in:Physical chemistry chemical physics : PCCP 2024-10, Vol.26 (41), p.26337-26341
Main Authors: Sarmah, Kangkan, Yashmin, Farnaz, Kalita, Amlan J, Haloi, Kriti, Devi, Surjata, Barman, Priyakshi, Mazumder, Lakhya J, Guha, Ankur K
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Atomic properties
Carbon
Planar structures
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container_issue 41
container_start_page 26337
container_title Physical chemistry chemical physics : PCCP
container_volume 26
creator Sarmah, Kangkan
Yashmin, Farnaz
Kalita, Amlan J
Haloi, Kriti
Devi, Surjata
Barman, Priyakshi
Mazumder, Lakhya J
Guha, Ankur K
description Tetrahedral carbon is a well-accepted structural motif. Theory has paved the way for many rule-breaking planar tetracoordinate carbon structures. Herein, we have explored the possibility of phosphorous supported carbon cluster C(P4)2+ to locate a planar tetracoordinate carbon centre (ptC). Our calculations revealed a penta-atomic planar tetracoordinate carbon (ptC) atom as a local minimum with a significant barrier for interconversion into the lowest energy isomer. The proposed species is kinetically stable and is a probable candidate for experimental detection. The stabilization of the planar structure arises due to delocalization of the p-electrons of the central carbon atom to the surrounding P4 skeleton and significant electrostatic attraction.
doi_str_mv 10.1039/d4cp02205j
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subjects Atomic properties
Carbon
Planar structures
title C(P)42+: a viable planar tetracoordinate carbon species
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