Embedding a Planar Hypercoordinate Carbon Atom into a [4n+2] π-System

Osvaldo Yañez, Rodrigo Báez-Grez, Jorge Garza, Sudip Pan, Jorge Barroso, Alejandro Vásquez-Espinal, Gabriel Merino, William Tiznado

Resultado de la investigación: Contribución a una revistaArtículorevisión exhaustiva

4 Citas (Scopus)

Resumen

Through delicate tuning of the electronic structure, we report herein a rational design of seventeen new putative global minimum energy structures containing a planar tetra- or pentacoordinate carbon atom embedded in an aromatic hydrocarbon. These structures are the result of replacing three consecutive hydrogen atoms of an aromatic hydrocarbon by less electronegative groups, forming a multicenter σ-bond with the planar hypercoordinate carbon atom and participating in the π-electron delocalization. This strategy that maximizes both mechanical and electronic effects through aromatic architectures can be extended to several molecular combinations to achieve new and diverse compounds containing planar hypercoordinate carbon centers.

Idioma originalInglés
Páginas (desde-hasta)145-148
Número de páginas4
PublicaciónChemPhysChem
Volumen21
N.º2
DOI
EstadoEn prensa - 1 ene 2019

Áreas temáticas de ASJC Scopus

  • Óptica y física atómica y molecular
  • Química física y teórica

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