title: Orbital landscapes for reductive 2e- activation of dihydrogen molecule.
abstract: The various spatial arrangements of frontier orbitals that may lead to facile reductive splitting of the H2 molecule at mono- or binuclear catalysts containing s, p, d or f-block metals, and on surfaces of solids are briefly reviewed. The postulation is also made that binuclear divalent titanium (Ti(II)) and mononuclear silicon (Si(II)) species might serve as active sites for the H2 attachment reaction for hydridoalanates doped with Ti salts and hydridoborates doped with SiO2, respectively.
authors: Department of Chemistry, Warsaw University, Pasteur 1, 02093, Warsaw, Poland. wg22@cornell.edu
authors: Wojciech
authors: W
authors: Grochala
mesh_terms: D001665:Binding Sites; D004583:Electrons; D006859:Hydrogen / Q000737:chemistry*; D008958:Models, Molecular; D010084:Oxidation-Reduction; D012825:Silicon / Q000737:chemistry*; D013499:Surface Properties; D014025:Titanium / Q000737:chemistry*
chemical_list: D006859:Hydrogen; D014025:Titanium; D012825:Silicon