Open-Shell Jellium Aromaticity in Metal Clusters

The 2N2 + 2N + 1 with S = N + 1/2 rule represented the extension to open-shell spherical compounds of the 2(N + 1)2 Hirsch rule for spherical aromatic species. In this work, we provide evidence that the jellium model with its magic numbers can also be extended to open-shell half-filled systems

Detalles Bibliográficos
Autores: Poater i Teixidor, Jordi, Solà i Puig, Miquel
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2019
País:España
Institución:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:10256/16634
Acceso en línea:http://hdl.handle.net/10256/16634
Access Level:acceso abierto
Palabra clave:Aromaticitat (Química)
Aromaticity (Chemistry)
Descripción
Sumario:The 2N2 + 2N + 1 with S = N + 1/2 rule represented the extension to open-shell spherical compounds of the 2(N + 1)2 Hirsch rule for spherical aromatic species. In this work, we provide evidence that the jellium model with its magic numbers can also be extended to open-shell half-filled systems