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The Raman spectra of 4fluoroanisole, 2,3,5,6-tetrafluoro-, pentafluoro-, 2,3,6-trichloro-, 2,3,4trichloro-and 3 , s dichloro-anisole were recorded in the region 4000-10 cm-' and their infrared spectra as mulls were measured in the range 4000-200 cm-'. The Fourier transform far-infrared spectra of the same samples in the region 600-20 cm-' were also obtained. A normal coordinate analysis was made for the in-plane vibrations of these molecules using a 50-parameter modified valence force field. The force constants were refined using an overlay least-squares technique. Unambiguous vibrational assignments were made using the potential energy distributions and eigenvectors.

The Fourier Transform Infrared (FTIR) and FT-Raman spectra of 4-methyl-3-nitrobenzoic acid have been recorded in the range 4000-400 cm −1 and 3500-50 cm −1 , respectively. The optimized geometry of the molecule, its vibrational frequencies along with corresponding intensities have been computed using the Density Functional Theory (DFT) employing B3LYP/6-311++G basis set. The scaled values of harmonic vibrational frequencies obtained in the computations have been compared with their experimental counter parts. The scaling factors have been refined to reproduce the frequencies with an RMS error of 11.68 cm −1 between the experimental and computed frequencies. The theoretically constructed spectra agree satisfactorily with those of experimental spectra. First order hyperpolarizability constants have also been evaluated.

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