Structure and Conformational Analysis of 5,5-Bis(bromomethyl)-2-phenyl-1,3-dioxane
- Авторлар: Khazhiev S.1, Khusainov M.1, Khalikov R.2, Tyumkina T.3, Meshcheryakova E.3, Khalilov L.3, Kuznetsov V.1,4
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Мекемелер:
- Ufa State Petroleum Technological University
- Bashkirian State Medical University
- Institute of Petrochemistry and Catalysis
- Ufa State Aviation Technical University
- Шығарылым: Том 88, № 3 (2018)
- Беттер: 397-402
- Бөлім: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/222041
- DOI: https://doi.org/10.1134/S1070363218030040
- ID: 222041
Дәйексөз келтіру
Аннотация
The structure of 5,5-bis(bromomethyl)-2-phenyl-1,3-dioxane was investigated by the methods of 1Н, 13С NMR spectroscopy and X-ray analysis. The molecule exists in the chair conformation with the equatorial phenyl group. The routes of interconversion of the ring, free conformational energy and optimal conformation of the phenyl group were determined using computer modeling by the method of DFT (PBE/3ξ). The results are consistent with the data of X-ray analysis.
Негізгі сөздер
Авторлар туралы
Sh. Khazhiev
Ufa State Petroleum Technological University
Email: kuzmaggy@mail.ru
Ресей, Ufa
M. Khusainov
Ufa State Petroleum Technological University
Email: kuzmaggy@mail.ru
Ресей, Ufa
R. Khalikov
Bashkirian State Medical University
Email: kuzmaggy@mail.ru
Ресей, Ufa
T. Tyumkina
Institute of Petrochemistry and Catalysis
Email: kuzmaggy@mail.ru
Ресей, Ufa
E. Meshcheryakova
Institute of Petrochemistry and Catalysis
Email: kuzmaggy@mail.ru
Ресей, Ufa
L. Khalilov
Institute of Petrochemistry and Catalysis
Email: kuzmaggy@mail.ru
Ресей, Ufa
V. Kuznetsov
Ufa State Petroleum Technological University; Ufa State Aviation Technical University
Хат алмасуға жауапты Автор.
Email: kuzmaggy@mail.ru
Ресей, Ufa; ul. K. Marksa 12, Ufa, 450008
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