电负性是近似地表征分子性质的重要参数.第一套电负性标度是Pauling于1932年提出的.其后有许多计算电负性的公式发表,其中Allred-Rochow根据原子核对电子的静电引力算出的电负性在化学界采用颇广.Allred-Rochow电负性的优点是所需数据(电子结构和单键共价半径)对于大多元素是已知的.然而,由于此法中的有效核电荷是 Electronegativity is an important parameter that approximately characterizes the molecular nature.The first set of electronegativity scales was proposed by Pauling in 1932. Many formulas for calculating electronegativity were then published, with Allred-Rochow based on the nuclear-to-electron The electronegativity calculated by electrostatic attraction is quite broad in chemistry. The advantage of Allred-Rochow electronegativity is that the required data (electronic structure and single bond covalent radii) are known for most elements. However, The effective nuclear charge is