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Article Dans Une Revue Catalysis Science & Technology Année : 2018

Direct n-octanol amination by ammonia on supported Ni and Pd catalysts: activity is enhanced by “spectator” ammonia adsorbates

Résumé

The direct amination of alcohols by ammonia is a promising sustainable route to primary amines. The development of novel heterogeneous catalysts calls for a better understanding of this reaction. Through a combination of well-designed catalytic tests and periodic DFT computations, we provide here a deeper understanding of the factors determining the activity of Ni and Pd catalysts. In particular, we demonstrate that a proper assessment of the relative activity requires the inclusion of a spectator species, namely ammonia, which modifies the rate limiting intermediate and transition state and thus affects the overall predicted activity. This better understanding paves the road for a rational improvement of metal-based catalysts.

Dates et versions

hal-01817166 , version 1 (16-06-2018)

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Alexandre Dumon, Tao Wang, Javier Ibanez, Ajay Singh Tomer, Zhen Yan, et al.. Direct n-octanol amination by ammonia on supported Ni and Pd catalysts: activity is enhanced by “spectator” ammonia adsorbates. Catalysis Science & Technology, 2018, 8 (2), pp.611 - 621. ⟨10.1039/C7CY02208E⟩. ⟨hal-01817166⟩
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