RAMAN SPECTROSCOPY: A STUDY OF THE VIBRATIONAL SPECTRA OF HYDROXYBENZOIC ACID ISOMERS
In this study, the Raman spectra of ortho-hydroxybenzoic acid (O-HA), meta-hydroxybenzoic acid (M-HA), and para-hydroxybenzoic acid (P-HA) molecules were recorded in the Raman shift range of 200-800 cm-1 using the Raman time domain spectroscopy (R-TDS) technique. The characteristic Raman scattering...
Saved in:
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Sociedade Brasileira de Química
2025-08-01
|
| Series: | Química Nova |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422025000800300&tlng=en |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Summary: | In this study, the Raman spectra of ortho-hydroxybenzoic acid (O-HA), meta-hydroxybenzoic acid (M-HA), and para-hydroxybenzoic acid (P-HA) molecules were recorded in the Raman shift range of 200-800 cm-1 using the Raman time domain spectroscopy (R-TDS) technique. The characteristic Raman scattering peaks of these three isomers of hydroxybenzoic acid were obtained, and it was found that there are significant differences in peak frequencies between O-, M-, and P-HA. Concurrent with the experimental study, theoretical calculations were performed on the molecular crystal cell of hydroxybenzoic acid using density functional theory (DFT), simulating the experimental Raman spectral features, and the results were in good agreement with the experimental data. The potential energy distribution (PED) is employed to examine the distinct vibrational modes of O-, M-, and P-HA molecules, as well as to assess the contribution of these various vibrational modes to the overall potential energy. The results indicate that R-TDS can distinguish the subtle differences between chiral isomers of hydroxybenzoic acid. The significance of this research lies not only in the scientific insights it provides but also in its practical implications for material science, pharmaceuticals, environmental monitoring, and forensic science, where the accurate identification and characterization of materials are of paramount importance. |
|---|---|
| ISSN: | 1678-7064 |