The idea of planar tetracoordinate carbon (ptC) was considered implausible for a hundred
years after 1874. Examples of ptC were then predicted computationally and realized …

Carbon centres in typical organic molecules have a coordination number that can reach a
maximum of four, in which case the bonded atoms are situated at the vertices of a …

Designing new materials with novel topological properties and reduced dimensionality is
always desirable for material innovation. Here we report the design of a two-dimensional …

By means of density functional theory (DFT) computations and global minimum search using
particle-swarm optimization (PSO) method, we predicted three FeB6 monolayers, namely α …

The presence of a delocalized π-bond is often considered an essential criterion for
achieving planar hypercoordination. Herein, we show that σ-delocalization could be …

Conspectus As one of the most important and versatile elements, carbon renders itself as
one of the most fundamental and cutting-edge topics in chemistry, physics, and materials …

Density functional theory (DFT) based calculations have been carried out to explore the
potential energy surface (PES) of CSinGe4− n2+/+/0 (n= 1–3) systems. The global minimum …

Planar or tetrahedral? A ternary 17-electron CBe 5 H 4 + cluster with planar
pentacoordinate carbon - Chemical Communications (RSC Publishing) DOI:10.1039/D0CC02973D …

Planar hexacoordination (ph) is only rarely reported in the literature. So far, only a few
neutral and cationic molecules possessing phE (E= C, Si, B, Al, Ga) in the most stable …

Viable planar pentacoordinate carbon (ppC) systems with a ppC bonded to a transition
metal and embedded in a metallocene framework are reported. Our detailed global minima …