2012/01/01 by Yan-Bo Wu, Yan Duan, Gang Lü +6 · 1 citation
Chemistry · Materials Science · #Boron and Carbon Nanomaterials Research #Fullerene Chemistry and Applications #Inorganic Chemistry and Materials
paper · doi:10.1039/c2cp41822c
openalex publication_date 2012/01/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/22
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.