Thursday, February 7, 2013

End-On and Side-On π‐Acid Ligand Adducts of Gold(I): Carbonyl, Cyanide, Isocyanide, and Cyclooctyne Gold(I) Complexes Supported by N‐Heterocyclic Carbenes and Phosphines

Mehmet Ali Celik,Chandrakanta Dash,Venkata A. K. Adiraju,Animesh Das,Muhammed Yousufuddin,Gernot Frenking,*,and H. V. Rasika Dias*,

Inorg. Chem. 2013, 52, 729−742.

Heterocyclic carbenes and phosphines are used as supporting ligands for Au(I) complexes containing small molecules CO, CN, isocyanide, alkanes, alkenes or alkynes.  These structures could serve as models for catalytic processes involving gold and specifically, carbon monoxide. This paper does a computational study of how the Au(I) center of these complexes effects the pi and sigma donation of the aforementioned small molecule ligand orbitals which lead to blue shifts.  It also discusses how the Au-carbene bond length doesn't change drastically with the varying small molecules.  This study is pertinent to possibly elucidating the mechanism of Au(I) chemistry. 

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