Abstract

L. M. N. Saleem, E. A. S. Al-Hyali and F. H. M. Al-Taei

The equilibrium constants 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) and an abinitio method represented by Hartree Fock (HF) at base set level 6-311G(d,p).

Stability Constant; Charge Transfer; Schiff bases

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