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

Dumon, Alexandre S., Wang, Tao, Ibañez, Javier, Tomer, Ajay, Yan, Zhen, Wischert, Raphael, Sautet, Philippe, Pera-Titus, Marc and Michel, Carine 2018. Direct n-octanol amination by ammonia on supported Ni and Pd catalysts: activity is enhanced by “spectator” ammonia adsorbates. Catalysis Science and Technology 8 (2) , pp. 611-621. 10.1039/C7CY02208E

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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 for a rational improvement of metal-based catalysts.

Item Type: Article
Date Type: Publication
Schools: Chemistry
Cardiff Catalysis Institute (CCI)
Publisher: Royal Society of Chemistry
ISSN: 2044-4753
Date of Acceptance: 6 December 2017
Last Modified: 12 Jan 2021 15:00
URI: http://orca.cardiff.ac.uk/id/eprint/137462

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