(R)-4-menten-3- 1的电子结构对其受限旋转和反转的影响

Q3 Biochemistry, Genetics and Molecular Biology

Turkish Computational and Theoretical Chemistry Pub Date : 2023-01-01 DOI:10.33435/tcandtc.1168638

I. Vakulin, E. Latypova, Rifkat Faatovi̇ch, Gumer Yusupovich Ishmuratov, G. R. Talipova

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引用次数: 0

摘要

本文研究了(R)-4- menn -3- 1的电子结构与其构象之间的限制跃迁之间的关系。通过初始化方法进行的NBO分析，我们发现(R)-4- menn -3- 1构象中存在特殊的轨道相互作用和立体效应，这解释了反转和旋转的困难。

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Influence of electronic structure of (R)-4-menten-3-one on its restricted rotation and inversion

In this work we was study correlation between electronic structure of (R)-4-menthen-3-one and restricted transitions between its conformers. By NBO analysis, carried out in ab inition methods, we found special orbital interactions and sterical effects in conformers of (R)-4-menthen-3-one, which explained difficults of inversion and rotation.

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来源期刊

Turkish Computational and Theoretical Chemistry Biochemistry, Genetics and Molecular Biology-Biochemistry, Genetics and Molecular Biology (miscellaneous)

CiteScore

2.40

自引率

0.00%

发文量