化学
电负性
电流(流体)
国家(计算机科学)
计算化学
化学物理
热力学
有机化学
算法
物理
计算机科学
作者
Artem Cherkasov,В. И. Галкин,Ekaterina М. Zueva,Р. А. Черкасов
出处
期刊:Russian Chemical Reviews
[Turpion]
日期:1998-05-31
卷期号:67 (5): 375-392
被引量:21
标识
DOI:10.1070/rc1998v067n05abeh000383
摘要
A systematic account is given of the current ideas about atomic and group electronegativities and the trends in the development of the concept of electronegativity are analysed. Attention is concentrated on the latest A systematic account is given of the current ideas about atomic and group electronegativities and the trends in the development of the concept of electronegativity are analysed. Attention is concentrated on the latest approaches to the definition of electronegativity – the concept of z.ldangorbitalz.rdang electronegativities and the density functional theory. A procedure is proposed for the determination of z.ldanginductivez.rdang electronegativities, which permits a correct theoretical calculation of the electronegativity of a substituent from the electronegativities of individual atoms and the steric structure. It is shown that the approach developed has a series of important advantages – for example, it makes it possible to calculate the group electronegativities of isomeric substituents avoiding the principle of the equalisation of electronegativities. A survey of literature data and generalisation of the method proposed by the authors have made it possible to formulate the concept of electronegativity as an unchanging fundamental immanent characteristic of a chemical element. The bibliography includes 222 references.
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