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

Abstract

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.