Bromination of Chalcone

Kaka, Kosrat N. and Omer, Rebaz A. and Mamand, Dyari M. and Qader, Aryan F. (2024) Bromination of Chalcone. ARO-THE SCIENTIFIC JOURNAL OF KOYA UNIVERSITY, 12 (1). pp. 48-53. ISSN 2410-9355

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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

Item Type:	Article
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Uncontrolled Keywords:	Bromination of Chalcone, Density-functional theory, Optoelectronic,, Molecular reactivity, Ultraviolet visible
Subjects:	Q Science > QD Chemistry
Divisions:	ARO-The Scientific Journal of Koya University > VOL 12, NO 1 (2024)
Depositing User:	Dr Salah Ismaeel Yahya
Date Deposited:	02 Sep 2024 06:57
Last Modified:	02 Sep 2024 06:57
URI:	http://eprints.koyauniversity.org/id/eprint/469

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