Molecular Structure, Experimental and Theoretical Vibrational Spectroscopy, and MEP Study of 4-methyl-N-(4-methylphenyl) Benzene Sulfonamide

Authors

  • K.Sarojini Department of Physics, Jeppiaar Institute of Technology, Kunnam, Sriperumbudhur, India.
  • H.Krishnan Department of Physics, SRM Valliammai Engineering College, SRM Nagar, Kattankulathur, Chennai 603203, India.
  • Charles C Kanagam Department of Chemistry, SRM Valliammai Engineering College, SRM Nagar, Kattankulathur, Chennai 603203, India.
  • S.Muthu Department of Physics, Sri Venkateswara College of Engineering, Pennalur, Sriperumbudur, Chennai 602105, India.

DOI:

https://doi.org/10.9734/bpi/stda/v5/2106

Keywords:

Molecular structure, vibrational spectroscopic, homo lumo, benzene sulfonamide, 4-methylphenyl, quantum chemical

Abstract

The structural and spectroscopic characterization of the synthesized aromatic organic compound 4-methyl-N-(4-methylphenyl) benzene sulfonamide (abbreviated as 4M4MPBS) was carried out using experimental XRD, FTIR, and FTRAMAN techniques. To support the analytical results, theoretical calculations were performed on 4M4MPBS using the DFT method associated with B3LYP functional with a 6-31G (d,p) basis set. Furthermore, the reactivity of the title compound was studied by the investigation of molecular electrostatic potential (MEP) computed and discussed.

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Published

2025-02-07

How to Cite

K.Sarojini, H.Krishnan, Charles C Kanagam, & S.Muthu. (2025). Molecular Structure, Experimental and Theoretical Vibrational Spectroscopy, and MEP Study of 4-methyl-N-(4-methylphenyl) Benzene Sulfonamide. Science and Technology: Developments and Applications Vol. 5, 115–134. https://doi.org/10.9734/bpi/stda/v5/2106

Issue

Science and Technology: Developments and Applications Vol. 5

Section

Chapters