Aromatic character of O h -C 24 N 24 . A cavernous nitride fullerene bearing N 4 -macrocycle motifs
Autor
Charistos N.D.
Jin P.
Muñoz-Castro A.
Resumen
Spherical fullerenes offer noteworthy structures usually involving six- and five-membered faces, with application in technological issues. In this sense, cavernous spherical-like structures bearing larger holes provide interesting examples for further understanding of structure-properties relationship. Here, we explored the magnetic response of a proposed cavernous nitride fullerene, C 24 N 24 , which has a O h -symmetry with six N 4 -macrocyclic and eight 1,3,5-triazine faces displaying 48-π electrons. C 24 N 24 exhibits a local aromatic behavior owing to the contrasting antiaromatic response of the N 4 -macrocyclic faces and the aromatic character of the 1,3,5-triazine faces. Thus, the overall structure is ascribed as a local aromatic species, where the triazine faces exhibit the characteristic shielding cone for aromatic rings. Furthermore, the constructive combination of local shielding cones in C 24 N 24 delivers a related shielding-cone response, as expected for a perfect aromatic cage. Hence, the local aromatic/nonaromatic/antiaromatic sections exhibit an additive or subtractive interaction, leading to a characteristic response inherent to the nature of the spherical cage. We expect that further study of the interplay between different aromatic and antiaromatic faces in fullerene-like cages can deliver interesting pseudo-aromatic or pseudo-antiaromatic spherical species. © 2019 Wiley Periodicals, Inc.
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
Interplay Between Planar and Spherical Aromaticity: Shielding Cone Behavior in Dual Planar-Planar, Planar-Spherical and Spherical-Spherical Aromatics (2020)
Muñoz-Castro A. (Wiley-VCH Verlag, 2020) -
Article
Induced Magnetic Field of Fullerenes: Role of σ- And π- Contributions to Spherical Aromatic, Nonaromatic, and Antiaromatic Character in C60q (q = +10, 0, -6, -12), and Related Alkali-Metal Decorated Building Blocks, Li12C60 and Na6C60 (2020)
Charistos N.D.; Muñoz-Castro A. (American Chemical Society, 2018)