Mechanistic studies of hydrogen release from solid amine borane materials

Mark Bowden; Tim Kemmitt; Wendy Shaw; Nancy Hess; John Linehan; Maciej Gutowski; Benjamin Schmid; Tom Autrey

Mechanistic studies of hydrogen release from solid amine borane materials

Mark Bowden, Tim Kemmitt, Wendy Shaw, Nancy Hess, John Linehan, Maciej Gutowski, Benjamin Schmid, Tom Autrey

Pacific Northwest National Laboratory

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

9 Citations (Scopus)

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.

Original language	English
Title of host publication	Hydrogen Storage Materials
Pages	9-14
Number of pages	6
Publication status	Published - Dec 1 2006
Event	2006 MRS Spring Meeting - San Francisco, CA, United States Duration: Apr 17 2006 → Apr 21 2006

Publication series

Name	Materials Research Society Symposium Proceedings
Volume	927
ISSN (Print)	0272-9172

Other

Other	2006 MRS Spring Meeting
Country	United States
City	San Francisco, CA
Period	4/17/06 → 4/21/06

ASJC Scopus subject areas

Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

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Cite this

Mechanistic studies of hydrogen release from solid amine borane materials. / Bowden, Mark; Kemmitt, Tim; Shaw, Wendy; Hess, Nancy; Linehan, John; Gutowski, Maciej; Schmid, Benjamin; Autrey, Tom.

Hydrogen Storage Materials. 2006. p. 9-14 (Materials Research Society Symposium Proceedings; Vol. 927).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

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title = "Mechanistic studies of hydrogen release from solid amine borane materials",

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 1.90{\AA}. 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.",

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AU - Bowden, Mark

AU - Kemmitt, Tim

AU - Shaw, Wendy

AU - Hess, Nancy

AU - Linehan, John

AU - Gutowski, Maciej

AU - Schmid, Benjamin

AU - Autrey, Tom

PY - 2006/12/1

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N2 - 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.

AB - 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.

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