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Latouche, C., Kahlal, S., Lin, Y.-R., Liao, J.-H., Furet, E., Liu, C. W. & Saillard, J.-Y. (2013) Anion Encapsulation and Geometric Changes in Hepta-and Hexanuclear Copper (I) Dichalcogeno Clusters: A Theoretical and Experimental Investigation. Inorganic Chemistry, 52 13253–13262. 
Added by: Richard Baschera (2016-09-27 07:35:11)
Type de référence: Article
DOI: 10.1021/ic402207u
Numéro d'identification (ISBN etc.): 1520-510X
Clé BibTeX: Latouche2013
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Catégories: HORSIMN
Créateurs: Furet, Kahlal, Latouche, Liao, Lin, Liu, Saillard
Collection: Inorganic Chemistry
Consultations : 4/1785
Indice de consultation : 4%
Indice de popularité : 1%
Résumé     
Whereas stable octanuclear clusters of the type M(I)8(E(?)E)6 (M = Cu, Ag; E(?)E = dithio or diseleno ligand) are known for being able to encapsulate a hydride or main-group anion under some circumstances, only the related hydride-containing heptanuclear [M(I)]7(H)(E(?)E)6 and empty hexanuclear [M(I)]6(E(?)E)6 species have been characterized so far. In this paper we investigate by the means of theoretical calculations and experiments the viability of empty and anion-centered clusters of the type [Cu(I)]7(X)(E(?)E)6 and [Cu(I)]6(X)(E(?)E)6 (X = vacancy, H or a main-group atom). The theoretical prediction for the existence of anion-containing heptanuclear species, the shape of which is modulated by the anion nature and size, have been fully confirmed by the synthesis and characterization of [Cu7(X){{}S2P(O(i)Pr)2{}}6] (X = H, Br). This consistency between experiment and theory allows us to predict the stability and shape-modulated structure of a whole series of [Cu(I)]7(X)(E(?)E)6 (X = vacancy, H, O, S, halogen) and [Cu(I)]6(X)(E(?)E)6 (X = H, halogen) clusters.
Added by: Richard Baschera  
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