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应用经典的改良平均偶极子定向(IADO)法和间略微分重叠(INDO/2)分子轨道法计算了无机络合物中离子—配位体键的力常数。由经典IADO法以及INDO/2-MO法得到的结果与由振动光谱实验数据的结果很好地一致。这种一致性说明了经典IADO法以及INDO/2-MO法可以用于计算一些未知金属离子—配位体键振动光谱的力常数。
The force constants of ionic-ligand bonds in inorganic complexes were calculated using the classical modified mean dipole orientation (IADO) method and the indirect derivative (INDO / 2) molecular orbital method. The results obtained by the classical IADO method and the INDO / 2-MO method are in good agreement with the experimental data obtained from the vibrational spectroscopy. This agreement shows that the classical IADO and INDO / 2-MO methods can be used to calculate the force constants of some unknown metal ion-ligand bond vibration spectra.