Bromination of Chalcone:

Kosrat N. Kaka; Rebaz A. Omer; Dyari M. Mamand; Aryan F. Qader

doi:10.14500/aro.11431

Kosrat N. Kaka Department of Chemistry, Faculty of Science and Health, Koya University, Danielle Mitterrand Boulevard, Koya KOY45, Kurdistan Region – F.R. Iraq https://orcid.org/0000-0002-6379-9775
Rebaz A. Omer Department of Chemistry, Faculty of Science and Health, Koya University, Danielle Mitterrand Boulevard, Koya KOY45, Kurdistan Region – F.R. Iraq https://orcid.org/0000-0002-3774-6071
Dyari M. Mamand Department of Physics, College of Science, University of Raparin, Sulaymani, Kurdistan Region – F.R. Iraq https://orcid.org/0000-0002-1215-7094
Aryan F. Qader Department of Chemistry, Faculty of Science and Health, Koya University, Danielle Mitterrand Boulevard, Koya KOY45, Kurdistan Region – F.R. Iraq https://orcid.org/0000-0002-2547-7708

Keywords: Bromination of Chalcone, Density-functional theory, Optoelectronic,, Molecular reactivity, Ultraviolet visible

Abstract

In this research work, a new compound, namely 2,6-dibromo-2,6-bis(bromo(phenyl)methyl)cyclohexanone (1), is synthesized and characterized for possible applications in organic electronic devices. The formation of the compound was confirmed by Fourier-transform infrared spectroscopy, 1H-, and 13C-NMR spectroscopy measurements. Furthermore, the spectroscopic and optoelectronic properties of the chemical compound were theoretically investigated using density-functional theory (DFT). Herein, the B3LYP/cc-pVDZ level was used to discover the compound electrostatic potentials and frontier molecular orbitals. The theoretical investigations predicted by DFT were compared with the experimentally obtained results from the ultraviolet visible spectra of the compound after being dissolved in various solvents. Results showed that the experimental band-gap energy of the compound is 3.17 eV, whereas its theoretical value was calculated to be 3.33 eV. The outcome of the achieved results suggests the viability of 2,6-dibromo-2,6-bis(bromo(phenyl)methyl)cyclohexanone for possible applications in organic electronic devices

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Author Biographies

Kosrat N. Kaka, Department of Chemistry, Faculty of Science and Health, Koya University, Danielle Mitterrand Boulevard, Koya KOY45, Kurdistan Region – F.R. Iraq

Kosrat N. Kaka is an Assistant Professor at the Department of Chemistry, Faculty of Science and Health, Koya University. He got a B.Sc. degree in General Educational Chemistry from Salahaddin University in 2001, an M.Sc. degree from Koya University in 2008, and a Ph.D. degree in Physical Chemistry from Mosul University in 2017. His research interest is mainly based on Organic and Physical Chemistry, which includes the synthesis and physical studies of these synthesized compounds with the estimation of a suitable mechanism.

Rebaz A. Omer, Department of Chemistry, Faculty of Science and Health, Koya University, Danielle Mitterrand Boulevard, Koya KOY45, Kurdistan Region – F.R. Iraq

Rebaz A. Omer is a Lecturer at the Department of Chemistry, Faculty of Science and Health, Koya University. He got a B.Sc. degree in Chemistry, an M.Sc. degree in Organic Chemistry, and a Ph.D. degree in Organic and Computational Chemistry. His research interests include Organic Synthesis, DFT and computational chemistry.

Dyari M. Mamand, Department of Physics, College of Science, University of Raparin, Sulaymani, Kurdistan Region – F.R. Iraq

Dyari M. Mamand is an Assistant Lecturer at the Department of General and Applied Physics, Faculty of Science, University of Raparin. He got a B.Sc. degree from Salahaddin University-Erbil and an M.Sc. degree from Firat University.

Aryan F. Qader, Department of Chemistry, Faculty of Science and Health, Koya University, Danielle Mitterrand Boulevard, Koya KOY45, Kurdistan Region – F.R. Iraq

Aryan F. Qader is a Lecturer at the Department of Chemistry, Faculty of Science and Health, Koya University. He got a B.Sc. degree in Chemistry from Koya University, Kurdistan Region of Iraq, an M.Sc. degree in Analytical Chemistry from Salahaddin University, Kurdistan Region of Iraq, and a Ph.D. degree in Analytical Chemistry from Firat University, Turkey. His research interests are in Pharmaceutical Analysis, Spectrophotometry, Fluorescence Spectroscopy, Medicinal Plants, Phytochemical Analysis, Antioxidant Analysis, and Plant Isolation and Fractionation.

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Bromination of Chalcone

A Study on Synthesis, Characterization, and Optoelectronic Properties

Abstract

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Author Biographies

References