Exohedral complexes of large fullerenes, a theoretical approach.
J Mol Model
; 23(5): 171, 2017 May.
Article
em En
| MEDLINE
| ID: mdl-28451883
The possibility of existence of exohedral organometallic complexes of fullerenes larger than C60 in which their coordination can have η6 hapticity was studied from a theoretical point of view. Complexes containing C70, C74 or C60 cages, as well as cyclopentadienyl (Cp), pentamethyl-cyclopentadienyl (Me5Cp), benzene rings and hexamethyl-phenyl (Me6Ph) fragments as ligands, were designed and studied. The results show that many of these molecules can be thermodynamically stable and can have electronic interesting behavior.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
J Mol Model
Assunto da revista:
BIOLOGIA MOLECULAR
Ano de publicação:
2017
Tipo de documento:
Article
País de afiliação:
México
País de publicação:
Alemanha