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 …

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 …

Herein, the first global minima containing a planar hexacoordinate carbon (phC) atom are
reported. The fifteen structures belong to the CE3M3+ (E= S–Te and M= Li–Cs) series and …

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 …

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 …

The recent report of planar tetracoordinate hydrogen (ptH) in In4H+ is very intriguing in
planar hypercoordinate chemistry. Our high-level CCSD (T) calculations revealed that the …

The occurrence of planar hexacoordination is very rare in main group elements. We report
here a class of clusters containing a planar hexacoordinate silicon (phSi) atom with the …

Herein, we report for the first time the presence of a planar hexacoordinate boron (phB) atom
in the global minimum energy structure of a neutral cluster system. The potential energy …

Achieving a planar hypercoordinate arrangement of s‐block metals through covalent
bonding with ligands is challenging due to the strong ionicity involved. Herein, we report the …