Synthesis, reactivity and crystal structures of various solvates of fac-tris(trimethylphosphine)trichloroiridium

The synthesis of fac-tris(trimethylphosphine)iridiumtrichloride is reported and the crystal structure of five different solvates of this compound are analyzed. Compared with the idealized structure calculated with DFT methods, bond angles and distances differ considerably for all of the solvates examined. The utility of fac-tris(trimethylphosphine)iridiumtrichloride for the synthesis of organometallic compounds of iridium(III) is also demonstrated.

The reaction depicted at the top leads to the clean formation of fac-(Me3P)3IrC3 the structure of which is depicted on the left. This iridium complex retains solvents of crystallization in the crystal lattice and five different solvates are structurally characterized, the DMSO solvate packing shown above right. The five structures are discussed and the utility of the trichloride for synthesizing organometallic complexes of iridium is demonstrated.Figure optionsDownload as PowerPoint slide