Long-range magnetic response of toroidal boron structures: B16 and [Co@B16]-/3- species
Autor
Muñoz-Castro A.
Popov I.A.
Boldyrev A.I.
Resumen
A correlation between the long-range characteristics of the magnetic response of toroidal boron-based structures is given, involving the uncoordinated B16 cluster and the hypercoordinated [Co@B16]-/3- counterparts. It is found that the perfectly symmetrical doubly aromatic systems share common features, involving a continuous shielding region for the orientation-averaged response (isotropic), and a long-ranged shielding cone under a perpendicularly oriented applied field (Bzext). In contrast, the conflicting aromatic structure given by the slightly distorted species, exhibits an enhanced deshielding cone under Bzext, which dominates the isotropic character of the response. In addition, [Mn@B16]- and [Cu@B16]- clusters were evaluated, denoting the role of the coordinated metal atom in such property. This information is valuable to account for a global magnetic response driven by the bonding pattern acting in each respective compound, and for the possible characterization of intermolecular aggregates or extended structures via NMR experiments. © the Owner Societies 2017.
Colecciones
Ítems relacionados
Mostrando ítems relacionados por Título, autor o materia.
-
Article
Expansion of Magnetic Aromaticity Criteria to Multilayer Structures: Magnetic Response and Spherical Aromaticity of Matryoshka-Like Cluster [Sn@Cu12@Sn20]12− (2020)
Kulichenko M.; Fedik N.; Boldyrev A.; Muñoz-Castro A. (Wiley-VCH Verlag, 2020) -
Article
Aromatic character of O h -C 24 N 24 . A cavernous nitride fullerene bearing N 4 -macrocycle motifs (2020)
Charistos N.D.; Jin P.; Muñoz-Castro A. (John Wiley and Sons Inc., 2019) -
Article
σ-Aromaticity-Induced Stabilization of Heterometallic Supertetrahedral Clusters [Zn6Ge16]4− and [Cd6Ge16]4− (2020)
Xu H.-L.; Popov I.A.; Tkachenko N.V.; Wang Z.-C.; Muñoz-Castro A.; Boldyrev A.I.; Sun Z.-M. (Wiley-VCH Verlag, 2020)