title: Vibrational spectroscopic studies and ab initio calculations of 5-nitro-2-(p-fluorophenyl)benzoxazole.
abstract: 5-Nitro-2-(p-fluorophenyl)benzoxazole was prepared by heating 2-hydroxy-5-nitro aniline with p-fluorobenzoic acid in polyphosphoric acid. The FT-IR spectrum is recorded and analysed. The vibrational frequencies and corresponding vibrational assignments are examined theoretically using the Gaussian03 set of quantum chemistry codes. Predicted infrared and Raman intensities are reported.
authors.affiliation: Thushara, Neethinagar-64, Pattathanam, Kollam 691021, Kerala, India.
authors.forename: Y Sheena
authors.initials: YS
authors.lastname: Mary
authors.forename: Hema Tresa
authors.initials: HT
authors.lastname: Varghese
authors.forename: C Yohannan
authors.initials: CY
authors.lastname: Panicker
authors.forename: Tugba
authors.initials: T
authors.lastname: Ertan
authors.forename: Ilkay
authors.initials: I
authors.lastname: Yildiz
authors.forename: Ozlem
authors.initials: O
authors.lastname: Temiz-Arpaci
mesh_terms: D001583:Benzoxazoles / Q000737:chemistry*; D003198:Computer Simulation; D008958:Models, Molecular; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman; D014732:Vibration
chemical_list: C534155:5-nitro-2-(4-fluorophenyl)benzoxazole; D001583:Benzoxazoles