Conformational Properties of Ethane and Its Analogs in Nanotubes
- Autores: Kuznetsov V.1,2
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Afiliações:
- Ufa State Aviation Technical University
- Ufa State Petroleum Technological University
- Edição: Volume 89, Nº 6 (2019)
- Páginas: 1271-1278
- Seção: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/222958
- DOI: https://doi.org/10.1134/S1070363219060239
- ID: 222958
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Resumo
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.
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Sobre autores
V. Kuznetsov
Ufa State Aviation Technical University; Ufa State Petroleum Technological University
Autor responsável pela correspondência
Email: kuzmaggy@mail.ru
Rússia, ul. Marksa 12, Ufa, 450008; Ufa