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- W2462855558 abstract "We report on a new class of complex hydrides: borohydride guanidinate complexes (MBH4·nCN3H5, M=Li, Mg, and Ca). They can be prepared via facile solid-state synthesis routes. Their crystal structures were successfully determined using a combination of X-ray diffraction, first-principles calculations and neutron vibrational spectroscopy. Among these compounds, Mg(BH4)2·6CN3H5 is composed of large complex Mg[CN3H5]62+ cations and surrounding BH4- ions, while Ca(BH4)2·2CN3H5 possesses layers of corner-sharing Ca[BH4]4(CN3H5)2 octahedra. Our dehydrogenation results show that ≈10 wt% hydrogen can be released from MBH4·nCN3H5 (M=Li, Mg, and Ca) at moderate temperatures with minimal ammonia and diborane contamination thanks to the synergistic effect of C-N bonds from guanidine and hydridic H from borohydrides leading to a weakening of the N-H bonds, thus impeding ammonia gas liberation. Further tuning the dehydrogenation with different cation species indicates that Mg(BH4)2·nCN3H5 can exhibit the optimum properties with nearly thermally neutral dehydrogenation and very high purity hydrogen release." @default.
- W2462855558 created "2016-07-22" @default.
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- W2462855558 date "2016-10-01" @default.
- W2462855558 modified "2023-10-15" @default.
- W2462855558 title "A new family of metal borohydride guanidinate complexes: Synthesis, structures and hydrogen-storage properties" @default.
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- W2462855558 doi "https://doi.org/10.1016/j.jssc.2016.07.013" @default.
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