| Literature DB >> 22801879 |
Yan-Bo Wu1, Yan Duan, Gang Lu, Hai-Gang Lu, Pin Yang, Paul von Ragué Schleyer, Gabriel Merino, Rafael Islas, Zhi-Xiang Wang.
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.Entities:
Year: 2012 PMID： 22801879 DOI： 10.1039/c2cp41822c
Source DB: PubMed Journal: Phys Chem Chem Phys ISSN： 1463-9076 Impact factor: 3.676