1384983-93-0

Basic information

• Product Name: 2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)-1H-imidazo[4,5-f][1,10] phenanthroline
• Synonyms: 2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)-1H-imidazo[4,5-f][1,10] phenanthroline
• CAS NO: 1384983-93-0
• Molecular Weight: 438.436
• Mol File: 1384983-93-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)-1H-imidazo[4,5-f][1,10] phenanthroline(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)-1H-imidazo[4,5-f][1,10] phenanthroline(1384983-93-0)
• EPA Substance Registry System: 2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)-1H-imidazo[4,5-f][1,10] phenanthroline(1384983-93-0)

Safety Data

• Hazardous Substances Data: 1384983-93-0(Hazardous Substances Data)

Upstream product

• 27318-90-7 1,10-phenanthroline-5,6-dione 
• 1550-35-2 2,4-difluorobenzaldehyde 
• 104-94-9 4-methoxy-aniline 

Relevant articles and documents

Characterization, photophysical and DFT calculation study on 2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)-1H-imidazo[4,5-f][1,10] phenanthroline ligand

The synthesized imidazole derivative 2-(2,4-difluorophenyl)-1-(4- methoxyphenyl)-1H-imidazo[4,5-f][1,10] phenanthroline (dfpmpip) has been characterized using IR, mass, 1H, 13C NMR and elemental analysis. The photophysical properties of dfpmpip have been studied using UV-visible and fluorescence spectroscopy in different solvents. The solvent effect on the absorption and fluorescence bands has been analyzed by a multi-component linear regression. Theoretically calculated bond lengths, bond angles and dihedral angles are found to be slightly higher than that of X-ray Diffraction (XRD) values of its parent compound. The charge distribution has been calculated from the atomic charges by non-linear optical (NLO) and natural bond orbital (NBO) analysis. Since the synthesized imidazole derivative has the largest μgβ0 value, the reported imidazole can be used as potential NLO material. The energies of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) levels and the molecular electrostatic potential (MEP) energy surface studies evidenced the existence of intramolecular charge transfer (ICT) within the molecule. Theoretical calculations regarding the chemical potential (μ), hardness (η) and electrophilicity index (ω) have also been calculated.