Vibrational Spectroscopic Studies and ab initio Calculations of Pyridine-3-sulfonic Acid
Corresponding Author(s) : C. YOHANNAN PANICKER
cyphyp@rediffmail.com
Asian Journal of Chemistry,
Vol. 19 No. 4 (2007): Vol 19 Issue 4
Abstract
FT-Raman and FT-IR spectra of pyridine-3-sulfonic acid were recorded and analyzed. The molecular geometry and vibrational wave numbers of pyridine-3-sulfonic acid have been calculated using the Hartree-Fock method with different basis sets. Comparison of the observed fundamental vibrational wavenumbers of pyridine-3-sulfonic acid with calculated results by Hartree-Fock method is found in agreement with the experimental data.
Keywords
FT-Raman
FT-IR
Hartree-Fock ab initio calculation
Pyridine-3-sulfonic acid
TRESA VARGHESE, H., YOHANNAN PANICKER, C., ANTO, P., & PHILIP, D. (2010). Vibrational Spectroscopic Studies and ab initio Calculations of Pyridine-3-sulfonic Acid. Asian Journal of Chemistry, 19(4), 2627–2632. Retrieved from https://asianpubs.org/index.php/ajchem/article/view/13354
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