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Conformational Properties of Ethane and Its Analogs in Nanotubes

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Abstract

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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Authors and Affiliations

  1. Ufa State Aviation Technical University, ul. Marksa 12, Ufa, 450008, Russia

    V. V. Kuznetsov

  2. Ufa State Petroleum Technological University, Ufa, Russia

    V. V. Kuznetsov

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  1. V. V. Kuznetsov
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Correspondence to V. V. Kuznetsov.

Additional information

Russian Text © The Author(s), 2017, published in Rossiiskii Khimicheskii Zhurnal, 2017, Vol. 61, No. 1, pp. 37–47.

Funding

This study was financially supported by the Ministry of Education and Science of the Russian Federation (project no. 16.1969.2017/PCh).

Conflict of Interest

No conflict of interest was declared by the author.

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Kuznetsov, V.V. Conformational Properties of Ethane and Its Analogs in Nanotubes. Russ J Gen Chem 89, 1271–1278 (2019). https://doi.org/10.1134/S1070363219060239

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