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.
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Zuschrift
Acid Initiation of Ammonia–Borane Dehydrogenation for Hydrogen Storage†
Article first published online: 28 NOV 2006
DOI: 10.1002/ange.200603285
Copyright © 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Additional Information
How to Cite
Stephens, Frances H., Baker, R. Tom., Matus, Myrna H., Grant, Daniel J. and Dixon, David A. (2007), Acid Initiation of Ammonia–Borane Dehydrogenation for Hydrogen Storage. Angew. Chem., 119: 760–763. doi: 10.1002/ange.200603285
- †
Publication History
- Issue published online: 12 JAN 2007
- Article first published online: 28 NOV 2006
- Manuscript Received: 11 AUG 2006
Funded by
- U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy
- Robert Ramsay Fund at the University of Alabama
Keywords:
- Brønsted-Säuren;
- Dichtefunktionalrechnungen;
- Kationen;
- Lewis-Säuren;
- Wasserstoff
Dabei kommt Wasserstoff heraus: Starke Lewis- oder Brønsted-Säuren erzeugen in situ aus dem Ammoniak-Boran-Komplex (H3NBH3) ein Boroniumkation, das unter Freisetzung von H2 zu einer Mischung aus cyclischen und acyclischen BNHx-Oligomeren reagiert (siehe Schema). Der vorgeschlagene Mechanismus wird durch Dichtefunktionalrechnungen zur Thermodynamik der Reaktion gestützt.