English   español  
Por favor, use este identificador para citar o enlazar a este item: http://hdl.handle.net/10261/111107
Compartir / Impacto:
Estadísticas
Add this article to your Mendeley library MendeleyBASE
Citado 19 veces en Web of Knowledge®  |  Ver citas en Google académico
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL
Exportar otros formatos: Exportar EndNote (RIS)Exportar EndNote (RIS)Exportar EndNote (RIS)
Título

A novel hexanuclear silver(i) cluster containing a regular Ag6 ring with short Ag-Ag distances and an argentophilic interaction

Autor Barreiro, Elena; Casas, José S.; Couce, María D.; Laguna, Antonio ; López-de-Luzuriaga, José M.; Monge, Miguel; Sánchez, Agustin; Sordo, José; Vázquez-López, Ezequiel M.
Fecha de publicación 2013
EditorRoyal Society of Chemistry (Great Britain)
Citación Dalton Transactions 42(16): 5916-5923 (2013)
ResumenThe hexanuclear complex [HQ][Ag(p-mpspa)] (H2-p-mpspa = 3-(4-methoxyphenyl)-2-sulfanylpropenoic acid) was prepared by reacting the precursor [Ag(H-p-mpspa)] with diisopropylamine (Q). The complex was characterized by spectroscopic techniques and the structure was solved by a single crystal X-ray diffraction study. The crystal contains hydrogen-bonded diisopropylammonium cations and [Ag6(p-mpspa)6] 6- anions that are based on a regular Ag6 ring with each S-donor atom of the sulfanylcarboxylate ligand bridging two Ag atoms. The Ag-Ag bond distances, 2.8036(6) Å, are very short and suggest a closed shell d10⋯d10 argentophilic interaction. To analyze the relative role of this interaction and that of the S-bridging atom the anionic [Ag6(p-mpspa)6]6- moiety has been studied theoretically at the Hartree-Fock (HF) and 2nd order Møller-Plesset perturbation theory (MP2) levels on a very simple [Ag 6(SH)6] A model system. A large model system [Ag 6(p-mpspa)6]6-B has also been studied by applying the ONIOM (QM/MM) approach using HF/UFF and MP2/UFF combinations as levels of theory. The six experimentally observed Ag(i)⋯Ag(i) supported interactions are reproduced when dispersion-type interactions are considered in the theory levels MP2 and ONIOM MP2/UFF for models A and B, respectively. The use of HF and ONIOM HF/UFF levels led to a similar hexanuclear structure but displayed a large hexagonal disposition without argentophilic contacts for both models A and B. The steric hindrance exerted by the ligands did not preclude the formation of argentophilic interactions, as observed experimentally. © 2013 The Royal Society of Chemistry.
URI http://hdl.handle.net/10261/111107
DOI10.1039/C3DT33003F
Identificadoresdoi: 10.1039/C3DT33003F
issn: 1477-9226
e-issn: 1477-9234
Aparece en las colecciones: (ICMA) Artículos
(ISQCH) Artículos
Ficheros en este ítem:
Fichero Descripción Tamaño Formato  
accesoRestringido.pdf15,38 kBAdobe PDFVista previa
Visualizar/Abrir
Mostrar el registro completo
 



NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.