Author: Bandana Sharma1, Munish Kumar Yadav and Shweta Prakash

DOI: http://doi.org/10.31788/RJC.2023.1628371

Experimental infrared and laser Raman spectra of 3,4,5-trimethoxyaniline were recorded in the first part of our investigation. Theoretically, using Hartree-Fock and density functional theory, structural properties and vibrational frequencies were estimated. The Hartree-Fock level spectral analysis was conducted using the HF/6-31+G(d,p) and HF/6-311++G(d,p) approaches. The B3LYP/6-31+G(d, p) technique was implemented to accomplish the DFT analysis. Comprehensive details of infrared, Raman intensity, scaled frequencies, reduced masses, and force constants are also presented in this paper. The vibrational experimental and theoretical findings are compared in the final section of our investigation using the 3D Gauss view visualization program. This paper also creates and provides Raman and IR spectra of 3,4,5-trimethoxy aniline using HF and DFT methodology

Keywords: 3,4,5-trimethoxyaniline, FT-IR, Laser Raman Spectra, HF, and DFT Calculations.