电负性和双原子键能的一种简单算法

Simple Calculation of Elements’ Electronegativity and Bond Energy in Double-Atom Molecules

研究了电负性和双原子分子键能的一种简单算法,并对其物理意义作初步探讨.根据Sonderson提出的元素的电负性与它们的价态的关系,按照量子化学的基本原理和提出的假设和模型,推得电负性和双原子分子键能的简单计算公式.电负性和双原子分子键能的计算结果与实验值基本符合.所提出的假设和模型是合理的,但有关的原理将进一步加以探讨.

The objectives of this paper are to study a new simple calculation of elements’ electronegativity and bond energy in double-atom molecules and to explore its physical significance. With the adoption of basic principles of quantum chemistry and Sonderson’s theory of the relationship between elements’ electronegativity and their valences, assumptions and models are made to deduce some simple calculations. The calculated values of elements’ electronegativity and bond energy in double-atom molecules show no difference from the Pauling experiment ones. Therefore, the assumptions and model suggested are reasonable, only that the related principles need to be further studied.