Boron-nitrogen compounds can serve as hydrogen storage molecules. One of the simplest boron-nitrogen compounds, H3N-BH2-NH3+ BH4- (DADB), is known to lose H2 thermally. If the two flanking amino groups of DADB are connected by a methylene chain, the positively charged rings are isoelectronic to the corresponding cycloalkanes.Like DADB, the release of H2 originates from the boron and nitrogen atoms. Investigations of hydrogen release from these cations by Infrared Mutiple Photon Dissociation (IRMPD) spectroscopy suggest that the dehydrogenated ions prefer dissociation rather than a second dehydrogenation. The fragmentation has been further investigated by site specific deuteration. Hydrogen scrambling occurs between the nitrogen and boron. Comparisons between calculated normal modes and IRMPD spectra allow determination of the structures of the cyclic ions and their fragments.

Cyclic homologues of diammoniate of diborane (DADB): Dehydrogenation and dissociation in the gas phase

243rd National Meeting (2012)

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