ISSN 2375-1134
African Journal of Agriculture ISSN 2375-1134 Vol. 11 (8), pp. 001-005, August, 2024. Available online at https://internationalscholarsjournals.org/journal/ajaoas/table-of-contents © International Scholars Journals
Full Length Research Paper
Computational Analysis of COOH Group Vibrational Dynamics in Amino-Salicylic Acids
Y. P. Singh1*, Ratnesh Das2 and R. A. Singh3
1Department of Physics, Government Women’s Polytechnic College, Sagar (MP), 470001, India.
2Department of Chemistry, Dr. H. S. Gour University, Sagar (MP), 470001, India.
3Department of Physics, Dr. H. S. Gour University, Sagar (MP), 470003 India.
Accepted 28 May, 2024
Abstract
Our present work reports the IR spectra of amino substituted salicylic acids recorded by FTIR spectro-meter and also simulated theoretically. The simulation was performed using GF matrix and AM1, PM3, DFT method. In this work, the following steps were taken: optimizing the geometry, computing the IR spectra and comparing it with experimental spectra. Assuming Cs point symmetry, vibrational assign-ments for the observed frequencies have been proposed. The spectra exhibit distinct features originating from low frequency vibrational modes caused by intra-molecular motion.
Key words: o-amino salicylic acid, m-amino salicylic acid, p-amino salicylic acid, FTIR spectra, vibrational spectra, AM1, PM3, DFT, G-F Matrix.