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Quantum-chemical study of interaction between hydrogen sulfide and sulfides of iron, titanium, and tungsten

Gabdrakipov, V. Z. / Volkova, L. D. / Zakarina, N. A. / Kim, O. K.

Abstract A quantum-chemical study of the interaction between hydrogen sulfide and the simplest MeS and MeS2 (Fe, Ti, W) sulfides was carried out. The correlations of catalytic activity in photodecomposition of hydrogen sulfide on Me/Al2O3 catalysts with the heat of formation of complexes MeS2 with hydrogen sulfide and changes in charge values of active metal upon complexation were found.

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Quantum-chemical study of interaction between hydrogen sulfide and sulfides of iron, titanium, and tungsten

Gabdrakipov, V. Z. / Volkova, L. D. / Zakarina, N. A. / Kim, O. K.

Abstract A quantum-chemical study of the interaction between hydrogen sulfide and the simplest MeS and MeS2 (Fe, Ti, W) sulfides was carried out. The correlations of catalytic activity in photodecomposition of hydrogen sulfide on Me/Al2O3 catalysts with the heat of formation of complexes MeS2 with hydrogen sulfide and changes in charge values of active metal upon complexation were found.

Quantum-chemical study of interaction between hydrogen sulfide and sulfides of iron, titanium, and tungsten

Gabdrakipov, V. Z. / Volkova, L. D. / Zakarina, N. A. / Kim, O. K.

Abstract A quantum-chemical study of the interaction between hydrogen sulfide and the simplest MeS and MeS2 (Fe, Ti, W) sulfides was carried out. The correlations of catalytic activity in photodecomposition of hydrogen sulfide on Me/Al2O3 catalysts with the heat of formation of complexes MeS2 with hydrogen sulfide and changes in charge values of active metal upon complexation were found.

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Title:

Quantum-chemical study of interaction between hydrogen sulfide and sulfides of iron, titanium, and tungsten

Contributors:

Gabdrakipov, V. Z. (author) / Volkova, L. D. (author) / Zakarina, N. A. (author) / Kim, O. K. (author)

Published in:

Petroleum Chemistry ; 50 ; 407-411

Publication date:

2010-11-01

Size:

5 pages

ISSN:

1555-6239 , 0965-5441

DOI:

https://doi.org/10.1134/S0965544110060010

Type of media:

Article (Journal)

Type of material:

Electronic Resource

Language:

English

Keywords:

High Occupied Molecular Orbital , Lower Unoccupied Molecular Orbital , Hydrogen Sulfide , Petroleum Chemistry , Metal Sulfide Chemistry , Industrial Chemistry/Chemical Engineering

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