Artículo

Toward (car)borane‑based molecular magnets

Oliva, Josep M.; Alcoba, Diego RicardoIcon ; Oña, Ofelia BeatrizIcon ; Torre, Alicia; Lain, Luis; Michl, Josef
Fecha de publicación: 01/2015
Editorial: Springer
Revista: Theoretical Chemistry Accounts
ISSN: 1432-881X
e-ISSN: 1432-2234
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

In a previous work, we reported the electronic structure of dimer diradicals composed of two S = ½ closo-carborane CB11H· 12 structural units (Theor. Chem. Acc. (2013) 132: 1329). That work has been extended here in order to describe a linear dimer, a linear and a cyclical trimer, and a tetrahedral structure of these units connected by means of a –CH2– bridge. A mapping of the resulting spin states onto a Heisenberg spin Hamiltonian is proposed for these new chains providing the evaluation of spinexchange coupling constants.
Palabras clave: Carboranes , Spin Population , Heisenberg Spin Hamiltonian , Heisenberg Coupling Constants
 
Archivos asociados
Thumbnail
 
Tamaño: 874.4Kb
Formato: PDF
.
Licencia
info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/18061
DOI: http://dx.doi.org/10.1007/s00214-014-1611-5
URL: https://link.springer.com/article/10.1007%2Fs00214-014-1611-5
Colecciones
Articulos(IFIBA)
Articulos de INST.DE FISICA DE BUENOS AIRES
Citación
Oliva, Josep M.; Alcoba, Diego Ricardo; Oña, Ofelia Beatriz; Torre, Alicia; Lain, Luis; et al.; Toward (car)borane‑based molecular magnets; Springer; Theoretical Chemistry Accounts; 134; 9; 1-2015; 1-8
Compartir
Altmétricas