B7Be6B7: A Boron-Beryllium Sandwich Complex
No hay miniatura disponible
Archivos
Fecha
2023-08
Profesor/a GuĂa
Facultad/escuela
Idioma
en
TĂtulo de la revista
ISSN de la revista
TĂtulo del volumen
Editor
John Wiley and Sons Inc
Nombre de Curso
Licencia CC
Attribution-NonCommercial-NoDerivatives 4.0 International Deed (CC BY-NC-ND 4.0)
Licencia CC
https://creativecommons.org/licenses/by-nc-nd/4.0/
Resumen
Planar boron clusters have often been regarded as âĎ-analogousâ to aromatic arenes because of their similar delocalized Ď-bonding. However, unlike arenes such as C5H5â and C6H6, boron clusters have not previously shown the ability to form sandwich complexes. In this study, we present the first sandwich complex involving beryllium and boron, B7Be6B7. The global minimum of this combination adopts a unique architecture having a D6h geometry, featuring an unprecedented monocyclic Be6 ring sandwiched between two quasi-planar B7 motifs. The thermochemical and kinetic stability of B7Be6B7 can be attributed to strong electrostatic and covalent interactions between the fragments. Chemical bonding analysis shows that B7Be6B7 can be considered as a [B7]3â[Be6]6+[B7]3â complex. Moreover, there is a significant electron delocalization within this cluster, supported by the local diatropic contributions of the B7 and Be6 fragments. Š 2023 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.
Notas
IndexaciĂłn: Scopus
Palabras clave
Aromaticity, Bonding, Global Minimum, Sandwich, Stability
CitaciĂłn
Angewandte Chemie - International Edition. Volume 62, Issue 31. 1 August 2023. Article number e202304997
DOI
10.1002/anie.202304997