• S. Selvaraj
• P. Rajkumar
• A. Santhiya
• S. Gunasekaran
• S. Kumaresan

4-Methoxysalicylaldehyde was identified from the natural extract. The spectroscopic and electronic structural properties were investigated by FTIR, FT-Raman and UV-Vis spectroscopic techniques with help of quantum chemical calculations. The vibrational spectra were recorded in the mid IR region. The electronic spectrum was recorded in the region UV-Vis region. The observed values in vibrational and UV-Vis spectra were analyzed and assigned to various fundamental modes of vibration and transitions in the molecule respectively. The molecular geometry, vibrational spectra and electronic spectra were simulated using Density Functional Theory (DFT) based on B3LYP/6-311++G(d,p) basis set. The experimental and theoretical findings were shows excellent agreement, thereby to confirm the structure of 4-Methoxysalicylaldehyde.

GC-MS, FT-IR, FT-Raman, UV-Vis, DFT calculations

"4-METHOXYSALICYLALDEHYDE: SPECTROSCOPIC AND COMPUTATIONAL INVESTIGATIONS", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.5, Issue 6, page no.222-229, June-2018, Available :http://www.jetir.org/papers/JETIR1806028.pdf

"4-METHOXYSALICYLALDEHYDE: SPECTROSCOPIC AND COMPUTATIONAL INVESTIGATIONS", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.5, Issue 6, page no. pp222-229, June-2018, Available at : http://www.jetir.org/papers/JETIR1806028.pdf