Reaction of TiCl4 with diethyl ether. Experimental and quantum-chemical study
- Authors: Shugurova N.V.1, Davydova E.I.1, Sevast’yanova T.N.1, Misharev A.D.1, Bodensteiner M.2, Scheer M.2
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Affiliations:
- St. Petersburg State University
- Institute of Inorganic Chemistry
- Issue: Vol 86, No 1 (2016)
- Pages: 9-17
- Section: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/213399
- DOI: https://doi.org/10.1134/S1070363216010035
- ID: 213399
Cite item
Abstract
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).
About the authors
N. V. Shugurova
St. Petersburg State University
Email: tns6@yandex.ru
Russian Federation, Universitetskaya nab. 7–9, St. Petersburg, 199034
E. I. Davydova
St. Petersburg State University
Email: tns6@yandex.ru
Russian Federation, Universitetskaya nab. 7–9, St. Petersburg, 199034
T. N. Sevast’yanova
St. Petersburg State University
Author for correspondence.
Email: tns6@yandex.ru
Russian Federation, Universitetskaya nab. 7–9, St. Petersburg, 199034
A. D. Misharev
St. Petersburg State University
Email: tns6@yandex.ru
Russian Federation, Universitetskaya nab. 7–9, St. Petersburg, 199034
M. Bodensteiner
Institute of Inorganic Chemistry
Email: tns6@yandex.ru
Germany, Regensburg
M. Scheer
Institute of Inorganic Chemistry
Email: tns6@yandex.ru
Germany, Regensburg