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A "two-state reactivity" scenario has been computationally disclosed for dinitrogen activation by a diniobium tetrahydride. Remarkably, it is revealed that alkali metal cations play a crucial role via alkali···N coordination… Click to show full abstract
A "two-state reactivity" scenario has been computationally disclosed for dinitrogen activation by a diniobium tetrahydride. Remarkably, it is revealed that alkali metal cations play a crucial role via alkali···N coordination interaction, which is capable of decreasing the activation barriers of N-H formation and subsequent H2 elimination in particular. Furthermore, the effect of various alkali metal cations has also been investigated systematically.
Keywords:
dinitrogen activation;
activation diniobium;
diniobium tetrahydride;
activation;
two state;
state reactivity
Journal Title: Inorganic chemistry
Year Published: 2020
Link to full text (if available)
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Journal Title: Inorganic chemistry
Year Published: 2020
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!