Reaction of TiCl4 with diethyl ether. Experimental and quantum-chemical study
- Autores: Shugurova N.1, Davydova E.1, Sevast’yanova T.1, Misharev A.1, Bodensteiner M.2, Scheer M.2
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Afiliações:
- St. Petersburg State University
- Institute of Inorganic Chemistry
- Edição: Volume 86, Nº 1 (2016)
- Páginas: 9-17
- Seção: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/213399
- DOI: https://doi.org/10.1134/S1070363216010035
- ID: 213399
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Resumo
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).
Sobre autores
N. Shugurova
St. Petersburg State University
Email: tns6@yandex.ru
Rússia, Universitetskaya nab. 7–9, St. Petersburg, 199034
E. Davydova
St. Petersburg State University
Email: tns6@yandex.ru
Rússia, Universitetskaya nab. 7–9, St. Petersburg, 199034
T. Sevast’yanova
St. Petersburg State University
Autor responsável pela correspondência
Email: tns6@yandex.ru
Rússia, Universitetskaya nab. 7–9, St. Petersburg, 199034
A. Misharev
St. Petersburg State University
Email: tns6@yandex.ru
Rússia, Universitetskaya nab. 7–9, St. Petersburg, 199034
M. Bodensteiner
Institute of Inorganic Chemistry
Email: tns6@yandex.ru
Alemanha, Regensburg
M. Scheer
Institute of Inorganic Chemistry
Email: tns6@yandex.ru
Alemanha, Regensburg
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