title: Photophysical studies of fused phenanthrimidazole derivatives as versatile π-conjugated systems for potential NLO applications.
abstract: Two new heterocyclic imidazole derivatives consists of π-conjugated system attached to a phenanthrimidazole moiety have been synthesized in moderate yield by the condensation of 1,10-phenanthroline-5,6-dione with substituted aromatic aldehydes and 4-methoxyaniline in the presence of ammonium acetate in ethanol medium. The photophysical properties of these imidazole derivatives were studied in several solvents. These derivatives were evaluated concerning their solvatochromic properties and molecular optical nonlinearities. Their electric dipole moment (μ) and hyperpolarizability (β) have been calculated theoretically and the results indicate that the extension of the π-framework of the ligands has an effect on the NLO properties of these imidazole derivatives. The non-zero tensor components of these imidazole derivatives reveal that they possess potent non-linear optical (NLO) behavior. The energies of the HOMO and LUMO levels and the molecular electrostatic potential (MEP) energy surface studies have exploited the existence of intramolecular charge transfer (ICT) within the molecule.
authors.affiliation: Department of Chemistry, Annamalai University, Annamalainagar, Tamilnadu, India. jtchalam2005@yahoo.co.in
authors.forename: Jayaraman
authors.initials: J
authors.lastname: Jayabharathi
authors.forename: Venugopal
authors.initials: V
authors.lastname: Thanikachalam
authors.forename: Marimuthu Venkatesh
authors.initials: MV
authors.lastname: Perumal
mesh_terms: D007093:Imidazoles / Q000737:chemistry*; D008958:Models, Molecular; D010618:Phenanthrolines / Q000737:chemistry*; D055672:Static Electricity; D014961:X-Ray Diffraction
chemical_list: D007093:Imidazoles; D010618:Phenanthrolines; C037153:1,10-phenanthroline-5,6-dione