1.
Angew Chem Int Ed Engl
; 55(47): 14704-14708, 2016 11 14.
Artigo
em Inglês
| MEDLINE
| ID: mdl-27781357
RESUMO
The first structurally characterized copper cluster with a Cu13 centered cuboctahedral arrangement, a model of the bulk copper fcc structure, was observed in [Cu13 (S2 CNn Bu2 )6 (C≡CR)4 ](PF6 ) (R=C(O)OMe, C6 H4 F) nanoclusters. Four of the eight triangular faces of the cuboctahedron are capped by acetylide groups in µ3 â fashion, and each of the six square faces is bridged by a dithiolate ligand in µ2 ,µ2 fashion, which leads to a truncated tetrahedron of twelve sulfur atoms. DFT calculations are fully consistent with the description of these Cu13 clusters as two-electron superatoms, that is, a [Cu13 ]11+ core passivated by ten monoanionic ligands, with an a1 HOMO containing two 1S jellium electrons.