Planar pentacoordinate carbon atoms embedded in a metallocene framework

Zhong hua Cui, Valentin Vassilev-Galindo, José Luis Cabellos, Edison Osorio, Mesías Orozco, Sudip Pan, Yi hong Ding, Gabriel Merino

Resultado de la investigación: Contribución a una revistaArtículo

20 Citas (Scopus)

Resumen

Viable planar pentacoordinate carbon (ppC) systems with a ppC bonded to a transition metal and embedded in a metallocene framework are reported. Our detailed global minima search shows that CAl4MX2 (M = Zr and Hf; X = F-I and C5H5) clusters with ppCs are appropriate candidates for experimental realization in the gas phase. The fulfillment of the 18 electron rule and electron delocalization is found to be crucial for the stabilization of these ppC arrangements.

Idioma originalInglés
Páginas (desde-hasta)138-141
Número de páginas4
PublicaciónChemical Communications
Volumen53
N.º1
DOI
EstadoPublicada - 1 ene 2017

    Huella digital

Citar esto

Cui, Z. H., Vassilev-Galindo, V., Luis Cabellos, J., Osorio, E., Orozco, M., Pan, S., Ding, Y. H., & Merino, G. (2017). Planar pentacoordinate carbon atoms embedded in a metallocene framework. Chemical Communications, 53(1), 138-141. https://doi.org/10.1039/C6CC08273D