Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1238356 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2007 | 7 Pages |
Abstract
The Fourier transform Raman and Fourier transform infrared spectra of 2-amino-5-iodopyridine were recorded in the solid phase. The equilibrium geometry, harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by HF and DFT (B3LYP) methods with the 6-31G(d,p) basis set for C, N, H and LANL2DZ pseudopotential for I. The scaled theoretical wavenumbers showed very good agreement with the experimental ones. A detailed interpretation of the infrared and Raman spectra of 2-amino-5-iodopyridine is reported on the basis of the calculated potential energy distribution. The theoretical spectrograms for the IR spectrum of the title molecule have been constructed.
Keywords
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Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
N. Sundaraganesan, C. Meganathan, B. Anand, B. Dominic Joshua, Christine Lapouge,