A disk-aromatic bowl cluster B30: toward formation of boron buckyballsElectronic supplementary information (ESI) available: Computational methods; shapes of selected MOs and shapes and relative energies of the low-lying isomers of B30 at the TPSSh/6-311+G(d) level. See DOI: 10.1039/c3cc48392d
The B 30 boron cluster has a bowl rather than a double-ring or a triple-ring tubular structure. This bowl isomer exhibits disk-aromaticity similar to that found for B 20 2− and B 19 − clusters. We confirmed that the concept of disk-aromaticity can be applied to both planar and non-planar systems. Th...
Gespeichert in:
Hauptverfasser: | , , , , |
---|---|
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
Zusammenfassung: | The B
30
boron cluster has a bowl rather than a double-ring or a triple-ring tubular structure. This bowl isomer exhibits disk-aromaticity similar to that found for B
20
2−
and B
19
−
clusters. We confirmed that the concept of disk-aromaticity can be applied to both planar and non-planar systems.
The B
30
cluster is a bowl-shape structure, rather than a double-ring tubular form and exhibits disk-aromatic features similar to those of B
19
−
and B
20
2−
. It suggests a consistent route for the formation of boron buckyballs such as B
80
and B
92
from multiple B
30
units. |
---|---|
ISSN: | 1359-7345 1364-548X |
DOI: | 10.1039/c3cc48392d |