title: Physicochemical and solvatochromic analysis of an imidazole derivative as NLO material.
abstract: Bioactive imidazole derivative, 2-(2,4-difluorophenyl)-1-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline, has been synthesized and characterized by IR, UV-vis, NMR and elemental (CHN) analysis. The electric dipole moment (μ) and the hyperpolarizability (β) have been studied both experimentally and theoretically, which reveals that the synthesized imidazole derivative possesses non-linear optical (NLO) behavior. This chromophore possess more appropriate ratio of off-diagonal versus diagonal β tensorial component (r=β(xyy)/β(xxx)=-0.19) which reflects the in plane nonlinearity anisotropy. Since they have largest μβ(0) value, the reported imidazole can be used as potential NLO material. Within this context, reasonable conclusions concerning the steric hindrance in the chromospheres, push-pull character, hyperpolarizability of the imidazole and their application as NLO materials will be drawn. The solvent effect on the absorption and fluorescence bands was analyzed by a multi-component linear regression in which several solvent parameters were analyzed simultaneously.
authors: Department of Chemistry, Annamalai University, Annamalainagar 608 002, Tamil Nadu, India. jtchalam2005@yahoo.co.in
authors: Jayaraman
authors: J
authors: Jayabharathi
authors: Venugopal
authors: V
authors: Thanikachalam
authors: Marimuthu Venkatesh
authors: MV
authors: Perumal
mesh_terms: D007093:Imidazoles / Q000138:chemical synthesis / Q000737:chemistry*; D016014:Linear Models; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D010618:Phenanthrolines / Q000138:chemical synthesis / Q000737:chemistry*; D012997:Solvents / Q000737:chemistry; D013055:Spectrophotometry, Infrared; D013056:Spectrophotometry, Ultraviolet
chemical_list: D007093:Imidazoles; D010618:Phenanthrolines; D012997:Solvents