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常见的简单化合物分子中,原子在成键时,一般发生不等性的s—p杂化。可以用非整数来表示杂化指数(sp~m中的m),如sp~(2.5)、sp~(3.1)……等。本文利用键角是两个成键轨道杂化指数的函数关系,来计算有关轨道的杂化状态。并根据轨道组合的总数必须等于该原子提供的原子轨道数的原则,计算孤电子对的杂化态。本法计算方法简单,并能解释一些化学现象。
Common simple compound molecules, atoms in the bond, the general occurrence of unequal s-p hybrid. You can use non-integer to represent the hybrid index (sp ~ m of m), such as sp ~ (2.5), sp ~ (3.1) ...... and so on. In this paper, we use the bond angle as a function of the hybridization index of two bond orbital to calculate the hybrid state of the orbits. And calculate the hybrid state of the lone pair according to the principle that the total number of orbital combinations must be equal to the number of atomic orbits provided by the atom. This method of calculation is simple and can explain some of the chemical phenomena.