Electronic structure of oxotetrahydroacridinium salt anhydrobases

被引：0
|
作者：
Mel'nik, M.V. [1 ]
机构：
[1] Ivano-Frankovskij GTU Nefti i Gaza, Ivano-Frankovsk, Ukraine
来源：
| 2000年 / Naukova Dumka卷 / 66期
关键词：
Alkalinity - Calculations - Color - Nitrogen compounds - Quantum theory;
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学科分类号：
摘要：
The method MO LCAO in Huckel approximation carries out theoretical accounts of influence of various groups on parameters of anhydrobases prepared by the interaction of inorganic bases with quaternary oxotetrahydroacrydinium salts. The electronic charges on individual atoms and fragments of the bases, orders of π-bonds in normal and exited states are calculated. The reason of coloring is explained and the range of its transition is established at pH 8.3-10.7.
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页码：5 / 6
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