Experimental and Theoretical Vibrational Study of Isatin

P Vidhya¹

¹Assistant Professors, Department of Physics, Karpagam Institute of Technology, Coimbatore, India.

Abstract

The FT-IR vibrational spectra of Isatin have been recorded in the range 4000-100 cm-1. A detailed ibrational spectral analysis has been carried out and assignments of the observed fundamental bands have been proposed on the basis of peak positions and relative intensities. The optimized molecular geometry, vibrational frequencies, atomic charges, dipole moment, rotational constants and several thermodynamic parameters in the ground state were calculated using ab initio Hartree-Fock (HF) methods with different basis sets. The observed vibrational wave numbers in FT-IR and FT-Raman spectra were analyzed and assigned to different normal modes of the molecule. Most of the modes have wave numbers in the expected range.

Keywords

• FTIR, Hartree-Fock, Isatin

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Cite this Article as Follows

P Vidhya. "Experimental and Theoretical Vibrational Study of Isatin" International Conference on Systems, Science, Control, Communication, Engineering and Technology (2016): 350-353. Print.