title: Vibrational analysis of mononitro substituted benzamides, benzaldehydes and toluenes. Part I. Vibrational spectra, normal coordinate analysis and transferability of force constants of nitrobenzamides, nitrobenzaldehydes and nitrotoluenes.
abstract: The Raman and Fourier transform infrared (FTIR) spectra of p-, m- and o-nitrobenzamides, p-, m- and o-nitrobenzaldehydes and p-, m- and o-nitrotoluenes were recorded. Raman polarisation measurements were made for the liquid samples. A normal coordinate analysis was carried out for both in-plane and out-of-plane vibrations of these molecules using 111-parameter modified valence force field. The force constants were refined using 316 frequencies of nine molecules in an overlay least-square technique. The reliability of the force constants was tested by making a zero-order calculation for nine related molecules. Unambiguous vibrational assignments of all the fundamentals were made by using the potential energy distributions and eigen vectors.
authors.affiliation: Department of Physics, Kakatiya University, Vidyaranyapuri, Warangal 506 009, India.
authors.forename: Md
authors.initials: M
authors.lastname: Qayyum
authors.forename: B
authors.initials: B
authors.lastname: Venkatram Reddy
authors.forename: G
authors.initials: G
authors.lastname: Ramana Rao
mesh_terms: D001547:Benzaldehydes / Q000737:chemistry*; D001549:Benzamides / Q000737:chemistry*; D009584:Nitrogen / Q000737:chemistry*; D010100:Oxygen / Q000737:chemistry; D013053:Spectrophotometry / Q000379:methods*; D013055:Spectrophotometry, Infrared / Q000379:methods*; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D013059:Spectrum Analysis, Raman / Q000379:methods*; D014050:Toluene / Q000737:chemistry*
chemical_list: D001547:Benzaldehydes; D001549:Benzamides; D014050:Toluene; D009584:Nitrogen; D010100:Oxygen