Reaction of TiCl4 with diethyl ether. Experimental and quantum-chemical study
- Авторы: Shugurova N.1, Davydova E.1, Sevast’yanova T.1, Misharev A.1, Bodensteiner M.2, Scheer M.2
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Учреждения:
- St. Petersburg State University
- Institute of Inorganic Chemistry
- Выпуск: Том 86, № 1 (2016)
- Страницы: 9-17
- Раздел: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/213399
- DOI: https://doi.org/10.1134/S1070363216010035
- ID: 213399
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Аннотация
The reaction of titanium tetrachloride with diethyl ether at various ratios of components and temperatures was studied by the NMR and mass spectrometry methods. The TiCl4·2Et2O complex does not pass in the gas phase. Formation of ethoxytrichlorotitanium among reaction products was established by the X-ray structure analysis. The model of conversion from initial components to titanium dioxide was suggested on the basis of the obtained experimental data and quantum-chemical calculations (B3LYP/def2-SVP level of theory).
Об авторах
N. Shugurova
St. Petersburg State University
Email: tns6@yandex.ru
Россия, Universitetskaya nab. 7–9, St. Petersburg, 199034
E. Davydova
St. Petersburg State University
Email: tns6@yandex.ru
Россия, Universitetskaya nab. 7–9, St. Petersburg, 199034
T. Sevast’yanova
St. Petersburg State University
Автор, ответственный за переписку.
Email: tns6@yandex.ru
Россия, Universitetskaya nab. 7–9, St. Petersburg, 199034
A. Misharev
St. Petersburg State University
Email: tns6@yandex.ru
Россия, Universitetskaya nab. 7–9, St. Petersburg, 199034
M. Bodensteiner
Institute of Inorganic Chemistry
Email: tns6@yandex.ru
Германия, Regensburg
M. Scheer
Institute of Inorganic Chemistry
Email: tns6@yandex.ru
Германия, Regensburg