European Journal of Chemistry 2018, 9(2), 84-88 | doi: https://doi.org/10.5155/eurjchem.9.2.84-88.1683 | Get rights and content






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


Faeza Almashal (1) orcid , Abeer Mohamed Jabar (2) orcid , Adil Muala Dhumad (3,*) orcid

(1) College of Education for Pure Science, Basrah University, Basrah, 61004, Iraq
(2) College of Education for Pure Science, Basrah University, Basrah, 61004, Iraq
(3) College of Education for Pure Science, Basrah University, Basrah, 61004, Iraq
(*) Corresponding Author

Received: 26 Jan 2018 | Revised: 23 Mar 2018 | Accepted: 04 Apr 2018 | Published: 30 Jun 2018 | Issue Date: June 2018

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.


Keywords


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

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DOI: 10.5155/eurjchem.9.2.84-88.1683

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Funding information


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

Citations

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[1]. Faeza Abdulkareem Almashal, Mohammed Qasim Mohammed, Qusay M. Ali Hassan, C.A. Emshary, H.A. Sultan, Adil Muala Dhumad
Spectroscopic and thermal nonlinearity study of a Schiff base compound
Optical Materials  100, 109703, 2020
DOI: 10.1016/j.optmat.2020.109703
/


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How to cite


Almashal, F.; Jabar, A.; Dhumad, A. Eur. J. Chem. 2018, 9(2), 84-88. doi:10.5155/eurjchem.9.2.84-88.1683
Almashal, F.; Jabar, A.; Dhumad, A. Synthesis, characterization and DFT computational studies of new heterocyclic azo compounds. Eur. J. Chem. 2018, 9(2), 84-88. doi:10.5155/eurjchem.9.2.84-88.1683
Almashal, F., Jabar, A., & Dhumad, A. (2018). Synthesis, characterization and DFT computational studies of new heterocyclic azo compounds. European Journal of Chemistry, 9(2), 84-88. doi:10.5155/eurjchem.9.2.84-88.1683
Almashal, Faeza, Abeer Mohamed Jabar, & Adil Muala Dhumad. "Synthesis, characterization and DFT computational studies of new heterocyclic azo compounds." European Journal of Chemistry [Online], 9.2 (2018): 84-88. Web. 28 Oct. 2020
Almashal, Faeza, Jabar, Abeer, AND Dhumad, Adil. "Synthesis, characterization and DFT computational studies of new heterocyclic azo compounds" European Journal of Chemistry [Online], Volume 9 Number 2 (30 June 2018)

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

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