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- Title
A Unique Au-Ag-Au Triangular Motif in a Trimetallic Halonium Dication: Silver Incorporation in a Gold(I) Catalyst.
- Authors
Zhu, Yuyang; Day, Cynthia S.; Zhang, Lin; Hauser, Katarina J.; Jones, Amanda C.
- Abstract
As a result of explorations into the solution chemistry of silver/gold mixtures, a unique diphosphine trimetallic chloronium dication was discovered that incorporates silver-arene chelation and a triangular mixed gold/silver core in the solid state. Notably, it was isolated from a Celite prefiltered solution initially thought to be silver-free. The crystal structure also incorporates the coordination to silver of one fluorine atom of one SbF6− counterion. The structure was compared to two new, but well-precedented, phosphine digold chloride cations. DFT calculations supported significant silver-halide and silver-arene interactions in the mixed gold/silver complex and metallophilic interactions in all three complexes. Comparison of computed data revealed that the ωB97X-D functional, which has a long-range corrected hybrid with atom-atom dispersion corrections, gave a better fit to the experimental data compared with the PBE0 functional, which has previously failed to capture aurophilic interactions. Preliminary studies support the presence of the mixed gold/silver structure in solution.
- Subjects
GOLD catalysts; CRYSTAL structure; DIPHOSPHINE; GOLD chloride; SILVER halides
- Publication
Chemistry - A European Journal, 2013, Vol 19, Issue 37, p12264
- ISSN
0947-6539
- Publication type
Article
- DOI
10.1002/chem.201302152