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结合[Ag(NH_3)_2]~+、[Zn(NH_3)_4]~(2+)、IO_6~(5-)、IF-4等多个案例分子的结构,讨论了主族元素原子与过渡金属元素原子作为中心原子时的杂化轨道差异。结果表明:1)中心原子属于主族元素时,杂化轨道中可以尽量多地填充孤电子对;而中心原子属于过渡金属时,杂化轨道中一般不能填入孤电子对。2)中心原子属于主族元素时,周围的价层电子对数量与杂化轨道数量一致;而中心原子属于过渡金属时,周围的价层电子对数量一般多于杂化轨道数量。研究结果有助于加深对杂化轨道本质的理解。
Combining the structures of [Ag (NH_3) _2] ~ +, [Zn (NH_3) _4] ~ (2 +), IO_6 ~ (5 -) and IF- The hybrid orbital difference when a metal element atom acts as a central atom. The results show that: 1) when the central atom belongs to the main group element, the lone electron pair can be filled as much as possible in the hybrid orbit; and when the central atom belongs to the transition metal, the lone electron pair can not generally be filled in the hybrid orbit. 2) When the central atom is a main group element, the number of valence electrons in the valence band around the center is the same as that of the hybrid orbital. When the central atom belongs to the transition metal, the number of valence electrons in the valence band is generally more than that of the hybrid orbital. The findings help to deepen the understanding of the nature of hybrid orbits.