New heteroleptic iridium(III) nitro complexes derived from fac-[Ir(NO2)3(H2O)3]

摘要： An aqueous solution of fac-[Ir(H2O)3(NO2)3] (1) was utilized as a starting material for preparation of the new heteroleptic iridium complex [Ir(H2O)(bpy)(NO2)3] (2). From alkaline solutions of 2, the salt Na[Ir(OH)(NO2)3(bpy)]·2H2O was isolated and its structure was determined by X-ray structure analysis. Structures of new compounds 2 and 3 as well as the parent complex 1 was characterized using multinuclear magnetic resonance spectroscopy and mass spectrometry. The structures of parent fac-[Ir(H2O)3(NO2)3] and complexes 2 and 3 were probed by employing density functional theory (DFT) calculations.