Spectral and Theoretical Studies of The Stability Constant of Charge Transfer Complexes of A Number of Schiff Bases With Eu(Fod)3 in Different Solvents
Keywords:
TheAbstract
The equilibrium constants (K) of charge transfer complexes (CTC) of salicylidene amino pyridines and salicylidene aniline with lanthanide shift reagent Eu(fod)3 in different solvents were determined by applying Benesi- Hildebrand equation. The effect of the polarity of the solvent, electronic factors and steric effect were investigated. Structural and energetic parameters like bond lengths, bond angles, energies of HOMO and LUMO orbitals, η, µ, and ω were obtained by quantum mechanical calculations employing semi empirical model (Austin Method1, AM1). The theoretical parameters are used to illustrate the ambiguities and support the explanation of the experimental results.
References
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Saleem L. M. and Al-dabbagh M. G., (2006), "Study of charge transfer complexes of salicylidenes and its substituents with Pr(fod)3 in cyclohexane by U. V. spectroscopy" Raf. Sci., 17, 49, 59-67.
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Sulaiman S. T., Saleem L. M. and Authman A. S., (1998), "Thermodynamic study of the Interaction of cinnamylidene aniline derivatives with Eu(fod)3 in acetonitrile and n-heptane solvent", Iraq J. Chem., 24, 49.
Szabo A. and Nostlund, N. S. (1989), "Modern Quantum Chemistry", 1st Edn., Dover Publication, New York.
Veith G. D. and Mekenyan O. G, (1993), "A QSAR approach for estimating the aquatic toxicity of soft electrophiles", Quant. Struct. Act . Relat, 12. 349-350.
Vektariene A., Vektaris G. and Svoboda J., (2009), "A theoretical approach to the nucleophilic behavior of benzofused thieno [3, 2-b] furans using DFT and HF based reactivity descriptors" , Arkivoc, 311-329.
Ali R. T., (2006), "Spectroscopic study of charge transfer complexes of salicylidene aniline and its derivatives with lanthanide shift reagent Pr (fod)3 in different solvents", M. Sc. Thesis, Mosul University.
Asir A. M. and Badahdah K. O., (2007), "Synthesis of some new anils: part1. reaction of 2-hydroxy benzaldehyde and 2-hydroxy naphtha- aldehyde with 2-aminopyridene and 2-aminopyrazine", www. mdpi. org/ molecules, 12, 1796-1804.
Bensi H. A. and Hildebrand J. H., (1949), " A Spectrophotometric investigation of the interaction of iodine aromatic hydrocarbons", J. Am. Chem. Soc., 71, 2703.
Binnemans K., Lodewyckx K., Parac- Vogt T. N., Deun R. V., Bart Goderis, Tinat B., Hecke K. V. and Meervelt L. V., (2003), "Adducts of Schiff bases with tris(β-diketonato) lanthanide (III) complexes: structure and liquid- crystalline behavior", Eur. J. Inorg. Chem., 3028- 3033.
Dewar Michel M. J. S., Zoebisch E. G., Healy E. F. and Stewart J. J. P., (1985), " Development and use of quantum mechanical molecular models. 76. AM1: A new general purpose quantum mechanical molecular models", J. Am. Chem. Soc., 107, 3902.
Dubey R. K., Dubey U. K. and Mishra C. M., (2008), "Synthesis and physicochemical characterization of some Schiff-bases complexes of chromium (III)". Ind. J. Chem., 47A, 1208-1212.
El-Bayomi M. A., El-Asser M. and Abdel-Halim, (1971), "Electronic spectra and structures of Schiff bases. I. benzanils", J. Am. Chem. Soc., 93, 586.
Saleem L. M. and Al-dabbagh M. G., (2006), "Study of charge transfer complexes of salicylidenes and its substituents with Pr(fod)3 in cyclohexane by U. V. spectroscopy" Raf. Sci., 17, 49, 59-67.
Sievers, Robert E., (1980) "Lanthanide chelate of a fluorinated ligand", file//I/4206132. htm., p1-4.
Sulaiman S. T., Saleem L. M. and Authman A. S., (1998), "Thermodynamic study of the Interaction of cinnamylidene aniline derivatives with Eu(fod)3 in acetonitrile and n-heptane solvent", Iraq J. Chem., 24, 49.
Szabo A. and Nostlund, N. S. (1989), "Modern Quantum Chemistry", 1st Edn., Dover Publication, New York.
Veith G. D. and Mekenyan O. G, (1993), "A QSAR approach for estimating the aquatic toxicity of soft electrophiles", Quant. Struct. Act . Relat, 12. 349-350.
Vektariene A., Vektaris G. and Svoboda J., (2009), "A theoretical approach to the nucleophilic behavior of benzofused thieno [3, 2-b] furans using DFT and HF based reactivity descriptors" , Arkivoc, 311-329.
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Published
2013-06-30
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Saleem, L. M. N., Al-Hyali, E. A. S., & Al-Taei, F. H. M. (2013). Spectral and Theoretical Studies of The Stability Constant of Charge Transfer Complexes of A Number of Schiff Bases With Eu(Fod)3 in Different Solvents. Science Journal of University of Zakho, 1(1), 220–226. Retrieved from https://sjuoz.uoz.edu.krd/index.php/sjuoz/article/view/71
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