Y©B8C4 cluster: a boron–carbon molecular wheel with dodeca-coordination number in plane

Y©B8C4 cluster: a boron–carbon molecular wheel with dodeca-coordination number in plane

Computational evidence is reported for the largest planar molecular wheel of the Y©B8C4 cluster, featuring an yttrium atom enclosed by a highly symmetric B8C4 ring. The B8C4 ring is viable in the –(BCB)4– form with double 9π/10σ aromaticity. The centered yttrium atom is dodeca-coordinated with the p...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2022-11, Vol.24 (46), p.28548-28553
Hauptverfasser: Ying-Jin, Wang, Lin-Yan, Feng, Miao, Yan, Chang-Qing, Miao, Hua-Jin Zhai
Format: Artikel
Sprache:eng
Schlagworte:
Aromaticity
Clusters
Coordination numbers
Planar structures
Rings (mathematics)
Yttrium
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Zusammenfassung:Computational evidence is reported for the largest planar molecular wheel of the Y©B8C4 cluster, featuring an yttrium atom enclosed by a highly symmetric B8C4 ring. The B8C4 ring is viable in the –(BCB)4– form with double 9π/10σ aromaticity. The centered yttrium atom is dodeca-coordinated with the peripheral B8C4 ring, which sets a record coordination number for a planar structure in chemistry heretofore.
ISSN:1463-9076
1463-9084
DOI:10.1039/d2cp04195b