Structure and Conformational Analysis of 5,5-Bis(bromomethyl)-2-methyl-2-phenyl-1,3-dioxane
- 作者: Khazhiev S.1, Khusainov M.1, Khalikov R.2, Tyumkina T.3, Meshcheryakova E.3, Khalilov L.3, Kuznetsov V.1,4
-
隶属关系:
- Ufa State Petroleum Technological University
- Bashkirian State Medical University
- Institute of Petrochemistry and Catalysis
- Ufa State Aviation Technical University
- 期: 卷 89, 编号 2 (2019)
- 页面: 199-203
- 栏目: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/222738
- DOI: https://doi.org/10.1134/S1070363219020051
- ID: 222738
如何引用文章
详细
The structure of 5,5-bis(bromomethyl)-2-methyl-2-phenyl-1,3-dioxane 1 has been studied by means of 1H and 13C NMR spectroscopy as well as X-ray diffraction analysis. The molecules of compound 1 exist in the chair conformation with the axially oriented phenyl group. The computer simulation using DFT approximation at the PBE/3ξ level has revealed the route of interconversion of the ring and the optimal conformation of the phenyl group corresponding to the data of X-ray diffraction analysis.
作者简介
Sh. Khazhiev
Ufa State Petroleum Technological University
Email: kuzmaggy@mail.ru
俄罗斯联邦, Ufa
M. Khusainov
Ufa State Petroleum Technological University
Email: kuzmaggy@mail.ru
俄罗斯联邦, Ufa
R. Khalikov
Bashkirian State Medical University
Email: kuzmaggy@mail.ru
俄罗斯联邦, Ufa
T. Tyumkina
Institute of Petrochemistry and Catalysis
Email: kuzmaggy@mail.ru
俄罗斯联邦, Ufa
E. Meshcheryakova
Institute of Petrochemistry and Catalysis
Email: kuzmaggy@mail.ru
俄罗斯联邦, Ufa
L. Khalilov
Institute of Petrochemistry and Catalysis
Email: kuzmaggy@mail.ru
俄罗斯联邦, Ufa
V. Kuznetsov
Ufa State Petroleum Technological University; Ufa State Aviation Technical University
编辑信件的主要联系方式.
Email: kuzmaggy@mail.ru
俄罗斯联邦, Ufa; ul. K. Marksa 12, Ufa, 450008