Conformational Properties of Ethane and Its Analogs in Nanotubes
- 作者: Kuznetsov V.1,2
-
隶属关系:
- Ufa State Aviation Technical University
- Ufa State Petroleum Technological University
- 期: 卷 89, 编号 6 (2019)
- 页面: 1271-1278
- 栏目: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/222958
- DOI: https://doi.org/10.1134/S1070363219060239
- ID: 222958
如何引用文章
详细
Modern approaches to understanding the origin of the internal rotation barrier in ethane and its analogs were reviewed. Computer simulation revealed the inversion of the relative stability of the staggered and eclipsed forms of such compounds in the cavity of nanotubes. Conformational behavior of disilane, methanol, methylmercaptan, hydroxyborane, diborane, and hydrazine molecules in nanotubes was also examined. It was concluded that the orbital interactions energy constitutes an important contribution to stabilization of the staggered form of ethane and its analogs.
作者简介
V. Kuznetsov
Ufa State Aviation Technical University; Ufa State Petroleum Technological University
编辑信件的主要联系方式.
Email: kuzmaggy@mail.ru
俄罗斯联邦, ul. Marksa 12, Ufa, 450008; Ufa
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