Abstract
Two neutral copper(I) complexes (1 and 2) bearing deprotonated 2‐(4‐nitro phenyl) imidazole[4,5‐f]‐1,10‐phenanthroline (NPIP) and different phosphine ligands (bis[2‐(diphenylphosphino) phenyl]ether (DPEphos) and PPh3) were synthesized and characterized. The molecular structure of a representative complex (1) was established by single‐crystal X‐ray diffraction. The complex features the metal in a distorted tetrahedral environment surrounded by two N atoms of the chelating NPIP ligand and two P atoms from DPEphos ligand. The emission spectra show that the two complexes exhibit yellow emission both in anhydrous ether and in the solid powder form. Density functional theory (DFT) calculation was carried out at the B3LYP/6‐31G** level to determine the electronic transition within the molecule.
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