Second-order superatoms: Au₅₂-PAP featuring a three-dimensional cluster-of-clusters core

Abstract

The recent characterization of Au52-PAP cluster, can be viewed as a three-dimensional arrangement featuring four Au13 motifs. As a result, a new set of superatomic orbitals are built up from...

[Ba4@Sn56]36– as a Main-Group Second-Order Superatom. Interpenetrated Dodecahedrons as a Three-Dimensional Cluster-of-Clusters Structure

“…Thus, such orbitals can be ascribed as a new set of shells involving the overall [Ba 4 @Sn 56 ] 36– anion denoted as 1S′ and 1P′ shells, from each 1S-shell at the fused Ba@Sn 19 dodecahedrons (1S-Ba@Sn 19 ). Hence, the new set of shells in the overall structure rises up from the superatomic shells centered at each cluster-building unit in a cluster-of-clusters motif and can be ascribed as second-order superatomic shells, i.e., electronic shells rising from the interacting superatomic shells at each vertex of the tetrahedron.…”

“…In addition, 119 Sn-NMR was evaluated to estimate differences for shared tin vertex. Such cluster involves a main-group three-dimensional architecture, which is rationalized in terms of the recently proposed second-order superatom approach introduced through the analysis of the Au 52 –PAP nanocluster, , where individual superatomic units located at the tetrahedron vertices are able to interact, further extending this notion of bonding in molecular clusters.…”