Synthesis, characterization and DFT computational studies of new heterocyclic azo compounds

Faeza Almashal; Abeer Mohamed Jabar; Adil Muala Dhumad

doi:10.5155/eurjchem.9.2.84-88.1683

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Published: Jun 30, 2018

DOI: https://doi.org/10.5155/eurjchem.9.2.84-88.1683

Keywords:

B3LYP, Mulliken charge, Azo sulfonamides, Electronic structures, Density function theory, Heterocyclic azo compound

Section

Research Article

Issue

Vol. 9 No. 2 (2018): June 2018

Dates

Received 2018-01-26
Accepted 2018-04-04
Published 2018-06-30

Faeza Almashal

College of Education for Pure Science, Basrah University, Basrah, 61004, Iraq

http://orcid.org/0000-0002-2398-663X

Abeer Mohamed Jabar

College of Education for Pure Science, Basrah University, Basrah, 61004, Iraq

http://orcid.org/0000-0001-7649-7226

Adil Muala Dhumad

College of Education for Pure Science, Basrah University, Basrah, 61004, Iraq

http://orcid.org/0000-0003-4565-7500

Abstract

New heterocyclic azo compounds were prepared by coupling the diazonium salts with N-(4-methylphenyl)maleimide with various different sulfa compounds. The structure of heterocyclic azo compounds was determined by MS, FT-IR and ¹H NMR techniques. The density function theory calculation at the B3LYP method with 6-311G(d,p) basis set is used to investigate the electronic structures of the prepared heterocyclic azo compounds. Mulliken charge distributions and HOMO-LUMO energies of the mentioned compounds have been also computed by same method and basis set.

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Almashal, F.; Jabar, A. M.; Dhumad, A. M. Synthesis, Characterization and DFT Computational Studies of New Heterocyclic Azo Compounds. Eur. J. Chem. 2018, 9, 84-88.

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Supporting Agencies

The Department of Chemistry at the College of Education for Pure Sciences, Basrah University, Basrah, Iraq.

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