Sarmah Kangkan, Yashmin Farnaz, Kalita Amlan J, Haloi Kriti, Devi Surjata, Barman Priyakshi, Mazumder Lakhya J, Guha Ankur K
Advanced Computational Chemistry, Centre Cotton University, Guwahati, Assam, 781001, India.
Phys Chem Chem Phys. 2024 Oct 23;26(41):26337-26341. doi: 10.1039/d4cp02205j.
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(P) 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 P skeleton and significant electrostatic attraction.
