The universal relationship between the energy and length of a covalent bond derived from the theory of generalized charges
- 作者: Dolgonosov A.M.1
-
隶属关系:
- Vernadsky Institute of Geochemistry and Analytical Chemistry
- 期: 卷 62, 编号 3 (2017)
- 页面: 344-350
- 栏目: Theoretical Inorganic Chemistry
- URL: https://journals.rcsi.science/0036-0236/article/view/167462
- DOI: https://doi.org/10.1134/S0036023617030068
- ID: 167462
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详细
A relationship between the energy and length of a covalent bond is derived from the theory of generalized charges, the asymptotic approximation of quantum mechanics for interatomic forces, which relies upon the model of multicomponent electron gas. The new relationship for the ground state of diatomic molecules is obtained in the form of analytical expressions without empirical coefficients; characteristics of electronic configuration are its parameters. Fairly good agreement between the results of a priori calculations and the experimental data for various molecules is demonstrated.
作者简介
A. Dolgonosov
Vernadsky Institute of Geochemistry and Analytical Chemistry
编辑信件的主要联系方式.
Email: amdolgo@mail.ru
俄罗斯联邦, Moscow, 119991
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