Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1309570 | Inorganica Chimica Acta | 2009 | 9 Pages |
New tris(4,4-dimethyl-2-oxazolinyl)phenylboratoiridium(I) scorpionate-type compounds [Ir(ToM)L2] (L2 = η4-C8H12 and (CO)2) and electrophiles form adducts that contain a bidentate IrToM-coordination and an N–electrophile interaction of the third oxazoline instead of the oxidative addition product. The adduct with lithium chloride gives a unique heterobimetallic Li–O-oxazoline-N–Ir bridging structure that has been identified through X-ray crystallography. Density functional theory calculations provide thermodynamic data, orbital symmetries, and orbital energies that explain the formation of the observed iridium(I) products.
Graphical abstractTris(4,4-dimethyl-2-oxazolinyl)phenylboratoiridium(I) compounds [Ir(ToM)L2] (L2 = η4-C8H12 and (CO)2) and electrophiles react to form adducts. The adduct with lithium chloride gives a unique heterobimetallic Li–O-oxazoline-N–Ir bridging structure. Density functional theory calculations provide thermodynamic data, orbital symmetries, and orbital energies that explain the formation of the observed iridium(I) products.Figure optionsDownload full-size imageDownload as PowerPoint slide