초록

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Abstract ▼ AI-Helper

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 $Cu^{2+}$ ion of both square planar $[Cu(H_2O)_{4-x}...

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 $Cu^{2+}$ ion of both square planar $[Cu(H_2O)_{4-x}(NH_3)_x]^{2+}$(X = 0, 1, 2,${\ldots}$4) and octahedral $[Cu(H_2O)_{6-x}(NH_3)_x]^{2+}$complexes (X = 0, 1, 2,${\ldots}$6) is decreased with substituting $NH_3$ for $H_2O$ 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 ${\Delta}H$ = 0.1194$E_{diss}$ + 0.4718, theoretical equation.