Mono- and bis-tolylterpyridine iridium(III) complexes

Area of Science:

• Inorganic Chemistry
• Crystallography
• Coordination Chemistry

Background:

• Iridium complexes with terpyridine ligands are of interest for their photophysical and catalytic properties.
• Accurate structural determination is crucial for understanding the behavior of these complexes.

Purpose of the Study:

• To present the first crystal structure of trichlorido[4'-(p-tolyl)-2,2':6',2''-terpyridine]iridium(III) dimethyl sulfoxide solvate.
• To report a higher-symmetry crystallographic setting for bis[4'-(p-tolyl)-2,2':6',2''-terpyridine]iridium(III) tris(hexafluoridophosphate) acetonitrile disolvate.

Main Methods:

• Single-crystal X-ray diffraction using synchrotron radiation for compound (I).
• Re-analysis of existing crystallographic data for compound (II) to determine a more appropriate space group.

Main Results:

• The crystal structure of [IrCl(3)(C(22)H(17)N(3))] x C(2)H(6)OS (I) was determined, with the dimethyl sulfoxide solvent molecule exhibiting disorder over three positions.
• The structure of [Ir(C(22)H(17)N(3))(2)](PF(6))(3) x 2 C(2)H(3)N (II) was refined and presented in the C2/c space group, indicating the iridium complex and a hexafluoridophosphate anion lie on twofold axes.

Conclusions:

• The detailed structural analysis provides fundamental insights into the solid-state packing and coordination environment of these iridium(III) terpyridine complexes.
• The findings contribute to the understanding of structure-property relationships in organometallic iridium compounds.