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原子轨道能级问题在化学上十分重要,但至今未能完满解决。本文第一部分概述几种非相对论性轨道能和相对论性轨道能计算值的来由,讨论它们与轨道能实验值的偏差。第二部分从光谱实验数据推算组态平均能量,用两个组态平均能量的差定义轨道能实验值。作者认为用这种方法定义的轨道能正确反映了原子轨道实际能级状况。第三部分讨论原子外层电子填充轨道的顺序和原子电离时失电子的顺序等实验规律。作者认为同一元素的原子或离子的轨道能级是一致的,因而用原子轨道实际能级图可正确判断电子填充轨道的顺序和电离时失电子的顺序。
The issue of atomic orbital energy levels is chemically important, but so far it has not been fully resolved. The first part of this paper outlines the origin of several non-relativistic orbital energies and relativistic orbit energies, and discusses their deviations from the experimental values of orbital energies. In the second part, the average energy of the configuration is deduced from the experimental data of the spectrum, and the experimental value of the orbital energy is defined by the difference of the two configured average energies. The author thinks that the orbit defined in this way can correctly reflect the actual energy level of the atomic orbit. The third part discusses the experimental rules of the sequence of electron-filled orbitals in the outer layer and the order of electron-loss during atomic ionization. The authors consider that the orbital energy levels of atoms or ions of the same element are consistent, so the order of the electron-filled orbitals and the electron-missing sequence when ionizing can be correctly determined using the actual energy level diagram of the atomic orbitals.