D3h CN3Be3+ and CO3Li3+: viable planar hexacoordinate carbon prototypes

Phys Chem Chem Phys. 2012 Nov 21;14(43):14760-3. doi: 10.1039/c2cp41822c. Epub 2012 Jul 17.

Abstract

Searches for planar hexacoordinate carbon (phC) species comprised of only seven atoms uncovered good CX(3)M(3) prototypes, D(3h) CN(3)Be(3)(+) and CO(3)Li(3)(+). The latter is the global minimum. It might also be possible to detect the deep-lying kinetically-viable D(3h) CN(3)Be(3)(+) local minimum, based on its robustness toward molecular dynamic simulations and its very high isomerization barrier.