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

Abstract

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 to a rational improvement of metal-based catalysts.

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Publication details

The article was received on 27 Oct 2017, accepted on 06 Dec 2017 and first published on 07 Dec 2017


Article type: Paper
DOI: 10.1039/C7CY02208E
Citation: Catal. Sci. Technol., 2017, Accepted Manuscript
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    Direct n-octanol amination by ammonia on supported Ni and Pd catalysts: activity is enhanced by “spectator” ammonia adsorbates

    A. S. Dumon, T. Wang, J. Ibanez, A. Tomer, Z. Yan, R. Wischert, P. Sautet, M. Pera-Titus and C. Michel, Catal. Sci. Technol., 2017, Accepted Manuscript , DOI: 10.1039/C7CY02208E

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