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Nuha Hussain Al-Saadawy
Department of Chemistry, College of Science, University of Thi-Qar, Thi-Qar, Iraq
Chemical Engineering, Chemistry & Bioengineering Chemistry

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Synthesis, Characterization and Theoretical Studies of New Organotellurium Compounds Based on (4-(((1S,E)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)amino)phenyl)mercury(II) Chloride Nuha Hussain Al-Saadawy
Indonesian Journal of Chemistry Vol 21, No 6 (2021)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.66143

Abstract

The current study aimed to prepare new organomercury and organotellurium compounds based on the condensation reaction of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (camphor) and p-aminophenyl mercuric(II) chloride. All the prepared compounds were characterized using different methods such as infrared spectrum, nuclear magnetic resonance, and CHN analysis. The analysis results concurred with the suggested chemical structures of the prepared compounds. Density functional theory has been applied with the basis set 3-21G to investigate the molecular structure of the prepared organotellurium compounds. Geometrical structure, HOMO surfaces, LUMO surfaces, and energy gap have been produced throughout the geometry optimization. The molecular geometry and contours for organotellurium compounds have been investigated throughout the geometrical optimization. Also, the donor and acceptor have been studied by comparing the HOMO energies of the prepared organotellurium compounds. Finally, the electronegativity, electrophilicity, ionization potential, electron affinity, and lower case of organotellurium compounds have been calculated and discussed.
Synthesis, Characterization, and Theoretical Study of Some New Organotellurium Compounds Derived from Camphor Nuha Hussain Al-Saadawy
Indonesian Journal of Chemistry Vol 22, No 2 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.69805

Abstract

The present work describes the synthesis of a variety of organotellurium compounds. The first part describes the synthesis of a new series of organotellurium compounds containing azomethine groups. Reaction of (E)-(4-((1,7,7-trimethyl bicyclo[2.2.1]heptan-2-ylidene)amino)phenyl)mercury(II)chloride and (E)-(5-methyl-2-((1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)amino)phenyl) mercury(II)chloride with tellurium tetrabromide in 2:1 mole ratio yielded the tellurated Schiff bases Ar2TeBr2 (where Ar = 1-(C9H16C=N)C=N)C6H4 and 1-(C9H16C=N)C=N)-4-CH3C6H3) respectively. Reduction of organyl tellurium dibromide Ar2TeBr2 by hydrazine hydrate obtained the corresponding tellurides (i.e., Ar2Te) in good yields. Characterization of the prepared compounds was carried out using infrared spectrum (FT-IR), proton nuclear magnetic resonance spectrum (1H-NMR), and elemental analysis (CHN). The molecular structure of the organotellurium compounds was investigated using the density functional theory with hybrid functional (B3LYP), and the basis set 6-31G Geometrical structure, HOMO surfaces, LUMO surfaces, and energy gap have been produced throughout the geometry optimization. The molecular geometry and contours for the organotellurium compounds were investigated throughout the geometrical optimization. The donor and acceptor properties have been studied by comparing organotellurium compounds' highest occupied molecular orbital energies (HOMO). The present study aims to prepare organotellurium compounds derived from aniline, p-toluidine, and camphor and their derivatives using tellurated Schiff bases.
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