title: Homopolar dihydrogen bonding in alkali-metal amidoboranes and its implications for hydrogen storage.
abstract: The solid-state structures of LiNH(2)BH(3) and NaNH(2)BH(3) have been shown recently to exhibit intricate M(δ+)···(δ-)H-B and N-H(δ+)···(δ-)H-B interactions. However, closer inspection of these structures reveals additional homopolar H···H interactions, viz., B-H(δ-)···(δ-)H-B and N-H(δ+)···(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 LiND(2)BH(3) shows that a significant quantity of H(2) is desorbed thermally along with HD, which can only arise from hydride-hydride interactions, either directly from B-H(δ-)···(δ-)H-B moieties or indirectly through the participation of Li-H intermediates.
authors.affiliation: Department of Chemistry, University of New Brunswick, P.O. Box 4400, Fredericton, New Brunswick E3B 5A3, Canada. dwolsten@unb.ca
authors.forename: David J
authors.initials: DJ
authors.lastname: Wolstenholme
authors.forename: James T
authors.initials: JT
authors.lastname: Titah
authors.forename: Franklin N
authors.initials: FN
authors.lastname: Che
authors.forename: Kyle T
authors.initials: KT
authors.lastname: Traboulsee
authors.forename: Jenna
authors.initials: J
authors.lastname: Flogeras
authors.forename: G Sean
authors.initials: GS
authors.lastname: McGrady
mesh_terms: D004736:Energy-Generating Resources; D006860:Hydrogen Bonding; D008672:Metals, Alkali / Q000737:chemistry*
chemical_list: D008672:Metals, Alkali