10.26078/PD6T-6A61
Boldyrev, Alexander
Alexander
Boldyrev
https://orcid.org/0000-0002-8277-3669
Utah State University
Kulichenko, Maksim
Maksim
Kulichenko
https://orcid.org/0000-0002-6194-3008
Utah State University
Data from: Expansion of aromaticity magnetic criteria on multi-layer structures. Magnetic response and spherical aromaticity of Matryoshka-like [Sn@Cu12@Sn20]12- cluster
Utah State University
2021
Dataset
Structural characterization of the discrete [Sn@Cu12@Sn20]12− cluster exposed a fascinating architecture composed of three concentric structural layers in which an endohedral Sn atom is enclosed in a Cu12 icosahedron, which in turn is embedded in an Sn20 dodecahedron. Herein, the possibility of sustaining aromatic behavior for this prototypical multilayered species was evaluated, in order to extend this concept to more complex clusters on the basis of magnetic response and bonding analysis by the AdNDP approach. This revealed characteristic features of spherical aromatics, given by the ability to sustain the shielding cone property, similar to archetypal aromatics.
Division of Chemistry
https://doi.org/10.13039/100000165
1664379