Ab Initio Study of the Mechanism of the Reaction of Lithium Amide Chemical Decomposition

被引：0
|
作者：
N. G. Kravchenko
E. B. Kaizer
A. S. Poplavnoi
机构：
[1] Kemerovo State University,
来源：
Journal of Structural Chemistry | 2020年 / 61卷
关键词：
lithium amide; thermodynamic potentials; activation energy; reaction model;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The mechanism of the reaction of LiNH2 decomposition is studied within the density functional theory. The activation energies for the first and the second stages of the reaction are found to be 246 kJ/mol and 63.7 kJ/mol. Possible alternative models for lithium amide decomposition reactions are analyzed. Reaction paths are calculated.
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页码：1 / 7
页数：6
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