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Be4B12+: A Covalently Bonded Archimedean Beryllo‐Borospherene.
- Source :
-
Angewandte Chemie . 10/17/2022, Vol. 134 Issue 42, p1-7. 7p. - Publication Year :
- 2022
-
Abstract
- A new class of beryllium‐boron clusters, beryllo‐borospherene, is described herein theoretically. When beryllium is gradually added to the B12 motif, it undergoes drastic structural modifications. The global minimum of the Be4B12+ cluster is an Archimedean beryllo‐borospherene in a 2A1 electronic ground state, composed of four boron triangles linked at each corner, resulting in a truncated tetrahedron with four B6 rings capped with four beryllium atoms. Beryllium forms strong bonding with the boron clusters through strong electrostatic and covalent interactions. For instance, the bonding between a beryllium atom and Be3B12 unit is best described as a Be+ fragment in a 2P excited state forming a strong and polarized electron‐sharing bond with Be3B12, followed by several dative interactions by employing its vacant s, p, and very high‐lying d orbitals. Counterintuitively, for an s‐block element, the p orbitals of beryllium are the most crucial atomic orbitals for bonding rather than s orbitals. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00448249
- Volume :
- 134
- Issue :
- 42
- Database :
- Academic Search Index
- Journal :
- Angewandte Chemie
- Publication Type :
- Academic Journal
- Accession number :
- 159613703
- Full Text :
- https://doi.org/10.1002/ange.202208152