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Two Neutral Copper(I) Complexes Bearing 2‐(4‐Nitrophenyl) Imidazole[4,5‐f]‐1,10‐Phenanthroline: Synthesis, Crystal Structure, and Luminescence Properties
Author(s) -
Liu Xin Fang,
Zhang Xiao Yu,
Li Rong Fang,
Feng Xun
Publication year - 2016
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
ISSN - 1229-5949
DOI - 10.1002/bkcs.10666
Subject(s) - imidazole , crystallography , chemistry , molecule , deprotonation , ether , crystal structure , copper , luminescence , phenanthroline , phosphine , ligand (biochemistry) , density functional theory , stereochemistry , ion , computational chemistry , materials science , organic chemistry , biochemistry , receptor , optoelectronics , catalysis
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 PPh 3 ) 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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