Y. Chua, Guotao Wu, Zhitao Xiong
Oct 5, 2009
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Chemistry of Materials
Abstract
A new type of hydrogen storage material—namely, calcium amidoborane ammoniate (Ca(NH2BH3)2·2NH3)—is synthesized by reacting calcium amide and ammonia borane in a molar ratio of 1:2. Structural analyses show that this newly developed complex has a orthorhombic structure (space group Pna21) with unit-cell parameters of a = 18.673(3) A, b = 5.2283(8) A, c = 8.5748(12) A, and V = 873.16(22) A3. The presence of NH3 in the crystal lattice facilitates the formation of dihydrogen bonding between BH···HN, which is considerably shorter than that in calcium amidoborane (Ca(NH2BH3)2). As a consequence, the bond lengths of B−H and N−H are increased comparatively. Our experimental results show that more than 8 wt % hydrogen can be released from Ca(NH2BH3)2·2NH3 without borazine emission at 150 °C.