In the current study, a direct method was used to synthesize a new series of charge-transfer complex compounds. Reaction of different quinones with 3,4-selenadiazo benzophenone in a 1:1 mole ratio by acetonitrile gave a unique charge-transfer complex compound in a good yield. All compounds were characterized by UV-Vis, FTIR, 1H-NMR, and 13C-NMR. The analysis findings agreed with the produced compound’s proposed chemical structures. The molecular structure of the produced charge-transfer complex compounds has been investigated using density functional theory. The basis set of 3–21G geometrical designs throughout the geometry optimization, HOMO surfaces, LUMO surfaces, and energy gap has been created. The acceptor and donor have also been studied by comparing the HOMO energies of the charge-transfer complexes. The lower case, electron affinity, ionization potential, electronegativity, and electrophilicity where the total energies of donor-acceptor system and geometric structures demonstrate this structure’s stability. Additionally, the donor-acceptor system has higher reactivity than other systems and larger average polarizability when compared to the donor and acceptor. The findings of this study enable us to choose the kind of bridge that will interact with the donor and acceptor to determine the physical characteristics of the donor-bridge-acceptor.
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.
The present study involved the preparation of organomercury and organotellurium compounds derived from camphor and (2-amino-5-methylphenyl) mercury (II) chloride and their derivatives by a condensation reaction. Characterization of the studied compounds was carried out using infrared spectrum (IR), proton nuclear magnetic resonance spectrum ( 1 H NMR), and elemental analysis (C.H.N). The molecular structure of the organotellurium compounds was investigated using the density functional theory with hybrid functional (B3LYP) and the basis set 3-21G. 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 the highest occupied molecular orbital energies (HOMO) of organotellurium compounds. The electronegativity, electrophilicity, Ionization potential, electron affinity, Chemical Hardness, and Chemical softness for the organotellurium compounds was calculated for the molecules under the study.
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.
The reaction of camphor with glycine under the showing conditions yielded (E)-2-((1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)amino)acetic acid ligand . The complexes of Cu(II), Ni(II), Co(II), Zn(II) and Fe(II) with ligand have been obtained by the reaction between copper bromide, hydrate nickel chloride, hydrate cobalt chloride, zinc chloride, and iron bromide with ligand in 1:2 mole ratio. The free ligands and their metal complexes have been separated in the solid state. The spectroscopic data of the complexes recommend their 1:2 structures which are researched by elemental analysis (CHN) 1H NMR and FT-IR spectroscopy. From the spectroscopic data proposed the octahedral structure for the all complexes.
The reaction of camphor with phenylalanine under showed conditions yielded Schiff base as a ligand. The structures of Cu(II), Ni(II), Co(II) and Fe(II) with schiff base compound have been joined by the reacting between copper bromide, hexahydrate nickel chloride, hexahydrate cobalt chloride and iron bromide and ligand in 1:2 mole ratio. The free ligand and their metal structures have been in the solid state. The spectroscopic data of the structures suggest their 1:2 buildings structures which are inspected by elemental analysis (CHN), FT-IR, 1 H NMR spectroscopy. The spectroscopic studies proposed the octahedral structure for the all structures and the results are represented and analyzed underneath.
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