Acid Initiation of Ammonia-Borane Dehydrogenation for Hydrogen Storage

Liberating hydrogen: Strong Lewis or Brønsted acids react with ammonia–borane (H3NBH3) to form an in situ boronium cation, resulting in the formation of a mixture of cyclic and acyclic BNHx oligomers and the liberation of H2 (see scheme). A proposed mechanism is supported by an examination of the re...

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Published inAngewandte Chemie (International ed.) Vol. 46; no. 5; pp. 746 - 749
Main Authors Stephens, Frances H., Baker, R. Tom, Matus, Myrna H., Grant, Daniel J., Dixon, David A.
Format Journal Article
LanguageEnglish
Published Weinheim WILEY-VCH Verlag 01.01.2007
WILEY‐VCH Verlag
Subjects
08 HYDROGEN
BATTELLE PACIFIC NORTHWEST LABORATORIES
Brønsted acids
cations
DEHYDROGENATION
density functional calculations
Environmental Molecular Sciences Laboratory
hydrogen
HYDROGEN STORAGE
Lewis acids
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Summary:Liberating hydrogen: Strong Lewis or Brønsted acids react with ammonia–borane (H3NBH3) to form an in situ boronium cation, resulting in the formation of a mixture of cyclic and acyclic BNHx oligomers and the liberation of H2 (see scheme). A proposed mechanism is supported by an examination of the reaction thermodynamics using density functional theory.
Bibliography:We thank the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy for funding. F.H.S. thanks Los Alamos National Laboratory for a postdoctoral fellowship. D.A.D. thanks the Robert Ramsay Fund at the University of Alabama for partial support. All calculations were completed at the Alabama Supercomputer Center. Martin Bluhm, Mark Bradley, and Larry Sneddon are thanked for their assistance with hydrogen quantification and helpful discussions.
istex:90F0EA059F44AB291EB817D0F74DCE8012954DB6
U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy
ArticleID:ANIE200603285
Robert Ramsay Fund at the University of Alabama
ark:/67375/WNG-DDJWQ9R7-R
ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
USDOE
AC05-76RL01830
ISSN:1433-7851
0570-0833
1521-3773
DOI:10.1002/anie.200603285