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.
"In the current study, the effect of the immobilization on electrostatic potential, pH and the absorbance of aqueous solutions of methyl orange that was immobilized on a modified chitosan polymer by glass wool were studied. It was found that the values of these parameters of the supported methyl orange are increased compared to unsupported samples. Furthermore, the electrostatic potential of the supported methyl orange is investigated in the presence of an aqueous solutions of NaCl, where showed the value of the electrostatic potential is raised With increasing ionic strength of the sodium chloride solution and a decrease in the value of pKa to the methyl orange dye after immobilization while the results are inversely before immobilization methyl orange on a modified chitosan polymer by glass wool.
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