Nature of Bonding in Bowl‐Like B36 Cluster Revisited: Concentric (6π+18π) Double Aromaticity and Reason for the Preference of a Hexagonal Hole in a Central Location

The bowl‐shaped C6v B36 cluster with a central hexagon hole is considered an ideal molecular model for low‐dimensional boron‐based nanosystems. Owing to the electron deficiency of boron, chemical bonding in the B36 cluster is intriguing, complicated, and has remained elusive despite a couple of pape...

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Veröffentlicht in:	Chemistry, an Asian journal an Asian journal, 2018-05, Vol.13 (9), p.1148-1156
Hauptverfasser:	Li, Rui, You, Xue‐Rui, Wang, Kang, Zhai, Hua‐Jin
Format:	Artikel
Sprache:	eng
Schlagworte:	Aromaticity bond theory Boron Chemical bonds Chemistry cluster compounds Clusters CMOS density functional calculations Molecular chains Molecular orbitals
Online-Zugang:	Volltext
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