Calcium Amidoborane Ammoniate-Synthesis, Structure, and Hydrogen Storage Properties
Calcium Amidoborane Ammoniate-Synthesis, Structure, and Hydrogen Storage Properties
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DOI：
10.1021/cm9020222
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发表时间：
2009-10-27
影响因子：
8.6
通讯作者：
Chen, Ping
中科院分区：
文献类型：
--
作者：
Chua, Yong Shen;Wu, Guotao;Chen, Ping
以氨基硼酸钙和氨基硼烷为原料，按摩尔比1：2合成了一种新型储氢材料--氨基硼氨酸钙(Ca(NH_2BH_3)(2)中心点2NH(3))。结构分析表明，这种新合成的化合物具有正交晶系结构(空间群P_(Na21))，晶胞参数为a=18.673(3)埃，b=5.2283(8)埃，c=8.5748(12)埃，V=5.2283(22)埃(3)。晶格中NH3的存在促进了BH中心点HN之间的二氢键的形成，这比在氨基硼烷钙(Ca(NH2BH3)(2))中形成的氢键短得多。结果表明，B-H和N-H的键长相对增加。我们的实验结果表明，在150℃下，Ca(NH_2BH_3)(2)中心点2NH(3)可以释放超过8wt%的氢，而不释放硼氮酮。
A new type of hydrogen storage material-namely, calcium amidoborane ammoniate (Ca(NH2BH3)(2)center dot 2NH(3))-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) angstrom, b = 5.2283(8) angstrom, c 8.5748(12) angstrom, and V = 873.16(22) angstrom(3). The presence of NH3 in the crystal lattice facilitates the formation of dihydrogen bonding between BH center dot center dot center dot 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)center dot 2NH(3) without borazine emission at 150 degrees C.