Effect of heteroatoms on aromaticity analyzed by geometric, magnetic, and electronic criteria

被引：0
|
作者：
Iwaki, Regina Akemi [1 ]
Udagawa, Taro [1 ]
机构：
[1] Department of Chemistry and Biomolecular Science, Faculty of Engineering, Gifu University, Yanagido 1-1, Gifu,501-1193, Japan
来源：
Chemical Physics Letters | 2021年 / 745卷
基金：
日本学术振兴会;
关键词：
Boron; -; Aromatization;
D O I：
暂无
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学科分类号：
摘要：
The effect of nitrogen and boron atoms on the aromaticity of azaborines, diazadiborinines, and borazine is analyzed by of HOMA, NICSZZ(1), and IDA methods. For the case of azaborines and diazadiborinines, the aromaticity decreases as the set of boron and nitrogen atoms is introduced. On the other hand, three aromatic indices give the different conclusions for borazine because each index focuses on different properties to evaluate aromaticity. © 2020 Elsevier B.V.
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