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我们在无机化学和结构化学的学习中,经常遇到这样的问题:3d和4s轨道的能量到底哪一个高?电子在填充这些轨道时,遵循什么规律,按照什么顺序?电离时首先失去的是哪个轨道上的电子?这些问题,现有的新版高校教材都没有予以圆满地、系统的阐述.目前,国内外的一些化学工作者都在积极地探讨这些问题.本文试从量子力学的基本假设出发,推出3d和4s轨道的能量计算公式,借助于斯莱特(Slatar)规则定量地计算出1～36号元素原子的3d和4s轨道能量,同时也计算了电子在这些轨道上排布时各种可能组态的能量,从而在解释上述问题时得到了比较满意的结果.
In our study of inorganic chemistry and structural chemistry, we often encounter the question of which one is the energy of the 3d and 4s orbitals. What laws do the electrons follow when filling these orbits? In what order? First of all, when ionizing Which orbit of electronic? These problems, the existing new textbook of colleges and universities have not been satisfactorily and systematically elaborated.At present, some domestic and foreign chemical workers are actively discussing these issues.This paper try from the basic assumptions of quantum mechanics Starting with the 3d and 4s orbital energy formulas, the 3d and 4s orbital energies of elements 1 ~ 36 are quantitatively calculated by means of the Slatar rule. At the same time, With the possible configuration of energy, satisfactory results have been obtained in explaining the above problems.