Color-Tuning Strategy for Iridapolycycles [(N^∧N)Ir(C^∧C)ClPPh₃]⁺ by the Synergistic Modifications on Both the C^∧C and N^∧N Units

The luminescent studies of cyclometalated Ir­(III) complexes have attracted considerable interests in recent years. To fulfill the needs of emission wavelengths in various areas, the strategic emission color tuning of iridium­(III) complexes is vital for their applications as phosphorescent materials. However, a feasible color-tuning method for iridacycles with fused carbon-rings (C∧C) has not been reported yet. Herein, a convenient color-tuning strategy for C∧C-based Iridacycles is accomplished with the aid of DFT calculations. The developed synthetic protocol allowed facile modifications on C∧C units and N∧N units via a one-pot synthesis starting from iridium vinyl complexes, accessing the novel phosphorescent iridapolycycles [(N∧N)­Ir­(C∧C)­ClPPh3]+.