Molecular Structure, Experimental and Theoretical Vibrational Spectroscopy, and MEP Study of 4-methyl-N-(4-methylphenyl) Benzene Sulfonamide | Chapter 7 | Science and Technology: Developments and Applications Vol. 5

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.

 

Author (s) Details

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.

 

Please see the book here:- https://doi.org/10.9734/bpi/stda/v5/2106