Experimental and Theoretical Vibrational Spectroscopic Study of Zinc (II) Halide Complexes of 4-Acetylpyridine

Authors : Yusuf ERDOGDU

Pages : 553-563

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Publication Date : 2017-12-11

Article Type : Research Paper

Abstract :In the present work, we present a detailed experimental and theoretical study of the zinc insert ignore into journalissuearticles values(II); halide complexes of 4-acetylpyridine insert ignore into journalissuearticles values(abbreviated as 4-Ap); insert ignore into journalissuearticles values(Zn insert ignore into journalissuearticles values(L);2 X2, [where L: C7OH7N; X: Cl, Br and I]);. The infrared and Raman spectra of the zinc insert ignore into journalissuearticles values(II); halide complexes of 4-Ap have been recorded between 400-4000 cm-1 and 5-3500 cm-1 regions, respectively. The analysis of the FT-IR and FT-Raman spectra indicates that some structure-spectra correlations. For a given series of isomorphous complexes, the sum of the differences between the values of the vibrational modes of uncoordinated 4-Ap was found to increase in order of second ionization potentials of metal. The molecular geometry and vibrational frequencies of the zinc insert ignore into journalissuearticles values(II); halide complexes of 4-Ap in the ground state have been calculated by using the Density Functional Method insert ignore into journalissuearticles values(B3LYP); with LANL2DZ and SDD as basis sets. A complete assignment of the fundamentals was proposed based on the total energy distribution insert ignore into journalissuearticles values(TED); calculation.
Keywords : Infrared spectra, Raman Spectra, Density functional theory, 4 Acetylpyridine, Zinc II, halide complexes