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The Role of Free N‐Heterocyclic Carbene (NHC) in the Catalytic Dehydrogenation of Ammonia–Borane in the Nickel NHC System
Authors:Paul M. Zimmerman  Ankan Paul Dr.  Zhiyong Zhang Dr.  Charles B. Musgrave Prof.
Affiliation:1. Department of Chemical Engineering, Stanford University Stanford, CA‐94305 (USA);2. Current address: Indian Association for Cultivation of Science, Kolkata, 700032 (India)
Abstract:Enders' N‐heterocyclic carbene (NHC) dehydrogenates ammonia–borane with a relatively low barrier, producing NH2BH2 and NHC–(H)2. The nickel NHC catalyst present in the reaction media can activate the NHC–(H)2 produced to regenerate the free NHC and release H2. The release of free NHC enables further dehydrogenation of ammonia–borane.
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Keywords:ammonia  borane  density functional calculations  homogeneous catalysis  N‐heterocyclic carbenes
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