Homopolar Dihydrogen Bonding in Alkali-Metal Amidoboranes and Its Implications for Hydrogen Storage

The solid-state structures of LiNH2BH3 and NaNH2BH3 have been shown recently to exhibit intricate Mδ+···δ−H–B and N–Hδ+···δ−H–B interactions. However, closer inspection of these structures reveals additional homopolar H···H interactions, viz., B–Hδ−···δ−H–B and N–Hδ+···δ+H–N, which contribute to the...

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Bibliographic Details
Published in:Journal of the American Chemical Society 2011-10, Vol.133 (41), p.16598-16604
Main Authors: Wolstenholme, David J, Titah, James T, Che, Franklin N, Traboulsee, Kyle T, Flogeras, Jenna, McGrady, G. Sean
Format: Article
Language:English
Subjects:
Energy-Generating Resources
Hydrogen Bonding
Metals, Alkali - chemistry
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Summary:The solid-state structures of LiNH2BH3 and NaNH2BH3 have been shown recently to exhibit intricate Mδ+···δ−H–B and N–Hδ+···δ−H–B interactions. However, closer inspection of these structures reveals additional homopolar H···H interactions, viz., B–Hδ−···δ−H–B and N–Hδ+···δ+H–N, which contribute to the relative stability of the extended structures of these crystalline materials. In addition, an NMR study of the isotopomer LiND2BH3 shows that a significant quantity of H2 is desorbed thermally along with HD, which can only arise from hydride–hydride interactions, either directly from B–Hδ−···δ−H–B moieties or indirectly through the participation of Li–H intermediates.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja206357a