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Solid-State NMR Study of Li-Assisted Dehydrogenation of Ammonia Borane
- Source :
- Inorganic Chemistry. 51:4108-4115
- Publication Year :
- 2012
- Publisher :
- American Chemical Society (ACS), 2012.
-
Abstract
- The mechanism of thermochemical dehydrogenation of the 1:3 mixture of Li(3)AlH(6) and NH(3)BH(3) (AB) has been studied by the extensive use of solid-state NMR spectroscopy and theoretical calculations. The activation energy for the dehydrogenation is estimated to be 110 kJ mol(-1), which is lower than for pristine AB (184 kJ mol(-1)). The major hydrogen release from the mixture occurs at 60 and 72 °C, which compares favorably with pristine AB and related hydrogen storage materials, such as lithium amidoborane (LiNH(2)BH(3), LiAB). The NMR studies suggest that Li(3)AlH(6) improves the dehydrogenation kinetics of AB by forming an intermediate compound (LiAB)(x)(AB)(1-x). A part of AB in the mixture transforms into LiAB to form this intermediate, which accelerates the subsequent formation of branched polyaminoborane species and further release of hydrogen. The detailed reaction mechanism, in particular the role of lithium, revealed in the present study highlights new opportunities for using ammonia borane and its derivatives as hydrogen storage materials.
- Subjects :
- Reaction mechanism
Hydrogen
Inorganic chemistry
Ammonia borane
chemistry.chemical_element
Nuclear magnetic resonance spectroscopy
Inorganic Chemistry
Hydrogen storage
chemistry.chemical_compound
chemistry
Solid-state nuclear magnetic resonance
Lithium
Dehydrogenation
Physical and Theoretical Chemistry
Subjects
Details
- ISSN :
- 1520510X and 00201669
- Volume :
- 51
- Database :
- OpenAIRE
- Journal :
- Inorganic Chemistry
- Accession number :
- edsair.doi.dedup.....78c4e5f79e6f13bcdbbc8d205f227e93