Hexacoordinate planar main group atoms centered in hexagonal hydrocopper complexes Cu6H6X (X = Si, P, As).

Ab initio theoretical evidence of hexacoordinate planar main group atoms centered in hexagonal hydrocopper complexes Cu(6)H(6)X (X = Si, P, As) is presented at the density functional theory level in this work. The results obtained extend the bonding capacity of silicon, phosphorus, and arsenic to planar hexacoordination in hydrocopper complexes which are important in fundamental research and may shed new insight into catalyst chemistry.