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KMID : 1059519920360020230
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Journal of the Korean Chemical Society
1992 Volume.36 No. 2 p.230 ~ p.237
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Correlation Between Bond Energy of Metal-Ligand and Observed Heat of Ligation of Cu(Ⅱ) Complexes
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Song Young-Dae
Choi Chen-Ho
Park Byung-Kak
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Abstract
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The correlation was investigated between the observed heat of ligation and calculated bond energy for square planar and octahedral Cu(Ⅱ) complexes by EHMO (Extended Huckel Molecular Orbital) method. It was found that net charge of Cu2+ ion of both square planar [Cu(H2O)4-x(NH3)x]2+(X = 0, 1, 2,…4) and octahedral [Cu(H2O)6-x(NH3)x]2+ complexes (X = 0, 1, 2,…6) is decreased with substituting NH3 for H2O molecule. It was found that a good relationship exists between the observed heat of ligation and the calculated bond energy. From this fact, we can obtain a linear equation ΔH = 0.1194Ediss + 0.4718, theoretical equation.
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KEYWORD
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