An unprecedented π-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene
Autor
Escayola, Sílvia
Poater, Albert
Muñoz-Castro, Alvaro
Solà, Miquel
Resumen
The formation of π-aromatic circuits along a grossly warped nanographene, C80H30, containing five- and seven-membered rings inserted into a six-membered mesh, reveals global π-circuits at the edge of the backbone. Based on DFT calculations, one of the two most favorable circuits for π-electron delocalization formally has 50 π-electrons abiding by Hückel's rule, whereas the second one formally has 75 π-electrons and, remarkably, it does not follow any of the known rules of aromaticity.
Colecciones
Ítems relacionados
Mostrando ítems relacionados por Título, autor o materia.
-
Article
Aromaticity Survival in Hydrofullerenes: The Case of C66H4 with Its π-Aromatic Circuits (2020)
Chen, Dandan; Szczepanik, Dariusz W.; Zhu, Jun; Muñoz-Castro, Alvaro; Solà, Miquel (Wiley-VCH Verlag, 2020-10-22)The isolated-pentagon rule (IPR) is a determining structural feature that accounts for hollow fullerene stabilization and properties related to Cn (n≥60) cages. The recent characterization of an unprecedented non-IPR ... -
Article
Aromaticity in Phenyl Decorated closo-Monocarboranes. Planar-Spherical Aggregates Involving 7-12-Vertex Cages (2021)
Muñoz-Castro, Alvaro (American Chemical Society, 2021)The characterized phenyl decorated closo-monocarboranes with variable sizes from 7- to 12-vertex cages, [Ph-closo-CBnHn]-, n = 6-11, allow us to address the role of the varying size and shape of the carborane cage in dual ... -
Article
Planar ten-membered 10-π-electron aromatic (CH)5(XH)5 {X = Ge, Sn} systems (2020)
Mondal S.; Sarkar P.; Muñoz-Castro A. (Springer Verlag, 2018)