Reaction of TiCl4 with diethyl ether. Experimental and quantum-chemical study

Shugurova, N. V. and Davydova, E. I. and Sevast'yanova, T. N. and Misharev, A. D. and Bodensteiner, M. and Scheer, M. (2016) Reaction of TiCl4 with diethyl ether. Experimental and quantum-chemical study. RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 86 (1). pp. 9-17. ISSN 1070-3632, 1608-3350

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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 center dot 2Et(2)O 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).

Item Type: Article
Uncontrolled Keywords: DONOR-ACCEPTOR BOND; NEUTRAL LEWIS-BASES; TITANIUM TETRACHLORIDE; ADDITION-COMPOUNDS; COMPLEXES; ADDUCTS; COORDINATION; EXCHANGE; CHLORIDE; DENSITY; titanium tetrachloride; diethyl ether; donor-acceptor complexes; ethoxytrichlorotitanium; titanium dioxide
Subjects: 500 Science > 540 Chemistry & allied sciences
Divisions: Chemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Manfred Scheer
Depositing User: Dr. Gernot Deinzer
Date Deposited: 01 Mar 2019 12:36
Last Modified: 06 Mar 2019 08:29
URI: https://pred.uni-regensburg.de/id/eprint/2172

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