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TitleMechanistic studies of hydrogen release from solid amine borane materials
Publication TypeConference Paper
Year of Publication2006
AuthorsBowden, M.E., Kemmitt T., Shaw W., Hess N., Linehan J., Gutowski M., Schmid B., and Autrey T.
Conference NameMaterials Research Society Symposium Proceedings
Date Published2006
KeywordsActivation energy, Amines, Ammonia, Bimolecular pathways, Decomposition, Gravimetric analysis, Gravimetric density, hydrogen, Hydrogen bonds, Hydrogen release, Isotopic substitution, nuclear magnetic resonance spectroscopy, Substitution reactions, Volumetric analysis
AbstractAmmonia borane (NH3BH3) is a molecular solid with a high volumetric and gravimetric density of hydrogen. We report room temperature structural data which shows how the freely rotating NH3 and BH 3 groups allow a N-H...H-B dihydrogen bond in which hydrogen atoms on adjacent molecules are separated by only 1.90Å. The initial decomposition of ammonia borane at 80-100°C into (NH2BH2) n and H2 has been studied by in-situ nmr spectroscopy and kinetic studies using isotopic substitution. The reaction proceeds by a bimolecular pathway involving a [NH3BH2NH 3]+BH4 - intermediate with an activation energy of 136kJmol-1. © 2006 Materials Research Society.

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