原子负电性的最简单定义是“原子在分子中吸引电子的能力”。近年来 Moffitt的研究认为一个原子可具有一定范围的负电性,换言之,原子负电性的大小系随其价态而定。关于原子负电性的计算,历年来各方已提出数种理论或经验式的方法,Mulliken 曾从原子的离解电势和电子亲和力来量度原子负电性的大小;Malone 曾就键的偶极矩和负电性差而获得二者之间相互的关系;Pauling 则由热化学的实验数据,即所谓键能量而制定原子负电性的标度;刘遵宪首先由原子半径和原子价按经验式来计算原子负电性;随后孙承谔和作者又各自由量子数、原子序、及原子价之间的关系而提出不同的计算式。不久以前,Gordy 指出了原子负电性与原子半径及有效核 The simplest definition of atom negative charge is “the ability of the atom to attract electrons in a molecule.” In recent years, Moffitt’s research suggests that an atom can have a range of negative charges, in other words, the size of the negative charge depends on its valence state. Regarding the calculation of the negative charge of the atom, several theoretical or empirical approaches have been proposed by the parties over the years. Mulliken once measured the magnitude of the negative charge of the atom from the dissociation potential and the electron affinity of the atom. Malone once examined the bond dipole moment and the negative charge Sexual difference and access to the mutual relationship between the two; Pauling from thermochemical experimental data, the so-called bond energy to develop the scale of the negative charge of the atom; Liu Zunxian by atomic radius and atomic valence by empirical formula to calculate the atomic electronegativity; Later, Sun Chenghuan and the author each gave different formulas for the relation between the quantum numbers, atomic orders, and atomic prices. Not long ago, Gordy pointed out the atomic negative charge and the atomic radius and the effective core