【摘要】 在前文基础上,将改进的EHMO电荷迭代法及VOIP比较法推广应用到一般的络合物。用VOIP比较法计算了一系列过渡金属络合物的电荷分布,其结果与半经验分子轨道法的结果相近。中心金属离子(原子)的电荷都接近中性。更多还原

【Abstract】 A simple VOIP comparision method is proposed for the determination of charge distribution in complexes. The charge distribution of various complexes were calculated by the proposed method. The charge on the central metal atom in a majority of neutral complexes as well as complex cations and anions is within the range ±1 electron in accordance with Pauling’s electroneutrality principle of complexes.更多还原