Chemistry - A European Journal
Chemistry - A European Journal
5 years ago

Frontispiece: Catalytic NH3 Synthesis using N2/H2 at Molecular Transition Metal Complexes: Concepts for Lead Structure Determination using Computational Chemistry

Frontispiece: Catalytic NH3 Synthesis using N2/H2 at Molecular Transition Metal Complexes: Concepts for Lead Structure Determination using Computational Chemistry
Walter Leitner, Markus Hölscher
While in the Haber–Bosch process N2/H2 is converted to NH3 at high temperatures and pressures with a heterogeneous catalyst, satisfying the world's demands for ammonia, Nature operates at ambient pressure and temperature and uses N2, protons and electrons at a molecular catalyst. Can a molecular catalyst also be developed for the N2/H2 system? In their Concept article on page 11992 ff., M. Hölscher and W. Leitner discuss how plausible reaction scenarios can be set up and checked by computational chemistry.

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/chem.201785061

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