期刊
CHEMPLUSCHEM
卷 81, 期 9, 页码 922-925出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cplu.201600270
关键词
boron; energy storage; hydrogen storage; ionic liquids; structure determination
资金
- U.S. Air Force Office of Scientific Research under AFOSR [FA9550-10-1-0521, FA9550-14-1-0306]
- Canada Excellence Research Chairs program
- Robert Ramsay Fund at the University of Alabama
Boranes and boron hydrides are well known for their novel molecular structures and useful chemical reactivity, with [B9H14](-) notable in particular for its ease of isolation, unusual structure, and tautomerization. We report an experimental and theoretical investigation of the structure of [B9H14](-) and the energetics of some of its reactions. Salts of [B9H14](-) with 1-ethyl-3-methylimidazolium and N-butyl-N-methylpyrrolidinium were characterized by single-crystal X-ray diffraction and demonstrate the stabilization of an isomer of [B9H14](-) not previously observed in the solid state. Heats of formation and acid dissociation constants of [B9H14](-) and closely related structures were calculated. The results suggest a mechanism for particularly energetic hypergolic ignition induced by protonation and suggest potential for reversible H-2 storage. These results encourage further investigation of [B9H14](-) as an energy-storage medium in ionic systems.
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