Abstract
A quantum-chemical study of the interaction between hydrogen sulfide and the simplest MeS and MeS 2 (Fe, Ti, W) sulfides was carried out. The correlations of catalytic activity in photodecomposition of hydrogen sulfide on Me/Al 2 O 3 catalysts with the heat of formation of complexes MeS 2 with hydrogen sulfide and changes in charge values of active metal upon complexation were found.