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oai:ojs.www.eurjchem.com:article/1683 2018-06-30T04:10:19Z eurjchem:ART driver

Synthesis, characterization and DFT computational studies of new heterocyclic azo compounds Almashal, Faeza Jabar, Abeer Mohamed Dhumad, Adil Muala B3LYP Mulliken charge Azo sulfonamides Electronic structures Density function theory Heterocyclic azo compound 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. Atlanta Publishing House LLC 2018-06-30 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion application/pdf https://www.eurjchem.com/index.php/eurjchem/article/view/1683 10.5155/eurjchem.9.2.84-88.1683 European Journal of Chemistry; Vol. 9 No. 2 (2018): June 2018; 84-88 2153-2257 2153-2249 eng https://www.eurjchem.com/index.php/eurjchem/article/view/1683/pdf_1683 Copyright (c) 2018 Authors