Conformational analysis of 5,5-bis(halomethyl)-1,3-dioxanes |
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| Authors: | Sh. Yu. Khazhiev M. A. Khusainov |
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| Affiliation: | 1.Ufa State Petroleum Technological University,Ufa,Russia |
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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. |
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