【摘要】 将归一化的“Van der Waals”半径引入空间堆积模型,对百余种锝化合物结构中配体的立体角系数之总和进行了计算,发现存在一个以0.97为中心,以0.13(不大于常见配体的立体角系数)为特征误差的稳定区间,它反映了锝周围配体堆积的限度,对预测和设计锝化合物很有启示。更多还原

【Abstract】 With the study of structures of more than 100 technetium compounds, a packing saturation principle is proposed based on the cone packing model and the normalized "Van der Waals" radii, in which the sum of the Solid Angle Factors (SAF) of all coordinating ligands reaches a stable region with an average value 0.97 and a characteristic error of±0.13 (no more than the SAF of one common ligand).It is found that the steric effect due to geometrical factors is quite important and deserves more attention in the design of technetium compounds with predicted structure.更多还原