Volume 151, 2011
From the journal:

Faraday Discussions

Control of hydrogen release and uptake in amine borane molecular complexes: thermodynamics of ammonia borane, ammonium borohydride, and the diammoniate of diborane

Tom Autrey,a   Mark Bowdena  and  Abhi Karkamkara  

a Catalysis Science Group, Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA, USA

Abstract

Molecular complexes of Lewis acid–base pairs can be used to activate molecular hydrogen for applications ranging from hydrogen storage for fuel cells to catalytic hydrogenation reactions. In this paper, we examine the factors that determine the thermodynamics of hydrogen activation of a Lewis acid–base pair using the pedagogical examples of ammonia borane (NH3BH3, AB) and ammonium borohydride ([NH4][BH4], ABH2). At ambient temperatures, ABH2 loses hydrogen to form the Lewis acid–base complex AB, suggesting that free energy drives the reaction to release hydrogen. However, direct measurement of the reaction enthalpy is not straightforward given the complex decomposition pathways leading to the formation of the diammoniate of diborane ([NH3BH2NH3][BH4], DADB). In this work, we compare two approaches for deriving the thermodynamic relationships among AB, DADB, and ABH2.

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Article information

DOI
https://doi.org/10.1039/C0FD00015A
Article type
Paper
Submitted
11 Dec 2010
Accepted
04 Jan 2011
First published
23 May 2011

Faraday Discuss., 2011,151, 157-169

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Control of hydrogen release and uptake in amine borane molecular complexes: thermodynamics of ammonia borane, ammonium borohydride, and the diammoniate of diborane

T. Autrey, M. Bowden and A. Karkamkar, Faraday Discuss., 2011, 151, 157 DOI: 10.1039/C0FD00015A

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