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Abstract

The new solid charge transfer (CT) complexes using of diphenylthiocarbazone as donor with picric acid, chloranilic acid, 3,5-dinitrobenzoic acid and 2,3-dichloro-1,4-naphthaquinone as π-acceptors are reported. These complexes were characterized by elemental analysis and IR spectroscopic, spectrophotometric and conductimetric studies were used to detect the stoichiometry of the formed complexes, these complexes were found to be1:2 molar ratio. Benesi-Hildebrand and its modification methods in terms of molar extinction coefficient (εCT), formation constant (KCT), standard free energy (ΔG°), oscillator strength (f), resonance energy (RN), transition dipole moment (μ) and ionization potential (Ip) were calculated. Also, computational calculation for the charge transfer complex, the molecular modeling for charge transfer complex was performed by using CS Chem3D Ultra.

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Donor Conductance and Molecular modeling π-Acceptors Charge transfer complexes

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Ibrahim, A., & EL-Mossalamy, E.-S. (2017). Synthesis and Spectroscopic Studies of Novel Charge Transfer Complexes of Diphenylthiocarbazone with pi;-Acceptors. Asian Journal of Organic & Medicinal Chemistry, 2(1), 29–36. https://doi.org/10.14233/ajomc.2017.AJOMC-P63
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