Theoretical exploration of H2X (X = O, S, Se) and HY (Y = F, Cl, Br) assisted H2-release from ammonia-borane and related compounds: mechanistic insights from theoretical viewpoint
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DOI: 10.1007/s00214-018-2299-8
Abstract: Reaction pathways for H2 release mediated by H2X (X = O, S, Se) and HY (Y = F, Cl, Br) set of reagents from ammonia-borane (NH3BH3) have been explored in gas phase using density functional theory (DFT). The optimized… read more here.
Keywords: h2x; borane; ammonia borane; borane related ... See more keywords