| Title | Mechanistic studies of hydrogen release from solid amine borane materials |
| Publication Type | Conference Paper |
| Year of Publication | 2006 |
| Authors | Bowden, M.E., Kemmitt T., Shaw W., Hess N., Linehan J., Gutowski M., Schmid B., and Autrey T. |
| Conference Name | Materials Research Society Symposium Proceedings |
| Date Published | 2006 |
| Keywords | Activation 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 |
| Abstract | Ammonia 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. |
| URL | http://www.scopus.com/inward/record.url?eid=2-s2.0-33947686578&partnerID=40&md5=144a8e8c7a7ba93ab0e220ae3cad3630 |
