Email this article Conformational analysis of 5,5-bis(halomethyl)-1,3-dioxanes
- Authors: Khazhiev S.Y.1, Khusainov M.A.1
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Affiliations:
- Ufa State Petroleum Technological University
- Issue: Vol 53, No 5 (2017)
- Pages: 717-719
- Section: Article
- URL: https://journal-vniispk.ru/1070-4280/article/view/216200
- DOI: https://doi.org/10.1134/S1070428017050116
- ID: 216200
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Abstract
Investigation of stationary points on the potential energy surface of a number of 5,5-bis(halomethyl)-1,3-dioxanes using DFT-approximation of PBE/3ζ revealed the only path of chair form interconversion proceeding through an intermediate minimum corresponding to a 2,5-twist-conformer.
About the authors
Sh. Yu. Khazhiev
Ufa State Petroleum Technological University
Author for correspondence.
Email: shamil66607@mail.ru
Russian Federation, ul. Kosmonavtov 1, Ufa, 450062
M. A. Khusainov
Ufa State Petroleum Technological University
Email: shamil66607@mail.ru
Russian Federation, ul. Kosmonavtov 1, Ufa, 450062
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