Heterolytic outer-sphere cleavage of H2 for the reduction of N2 in the coordination sphere of transition metals--a DFT study.
Institute of Technical and Macromolecular Chemistry, RWTH Aachen University, Worringerweg 1, 52074 Aachen, Germany. hoelscher@itmc.rwth-aachen.de
Markus
M
Hölscher
Walter
W
Leitner
D000641:Ammonia / Q000138:chemical synthesis* / Q000737:chemistry; D006859:Hydrogen / Q000737:chemistry*; D008958:Models, Molecular; D009584:Nitrogen / Q000737:chemistry*; D009942:Organometallic Compounds / Q000737:chemistry*; D010084:Oxidation-Reduction; D011789:Quantum Theory; D012428:Ruthenium / Q000737:chemistry*
D009942:Organometallic Compounds; D000641:Ammonia; D012428:Ruthenium; D006859:Hydrogen; D009584:Nitrogen