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Monoammoniate of Calcium Amidoborane - Synthesis, Structure and Hydrogen-Storage Properties



Yong Shen Chua, Hui Wu, Wei Zhou, Terrence J. Udovic, Guotao Wu, Zhitao Xiong, Ming Wah Wong, Ping Chen


The monoammoniate of calcium amidoborane, Ca(NH2BH3)2¿NH3 was synthesized by ball milling an equimolar mixture of CaNH and AB. Its crystal structure has been determined and found to contain a complete dihydrogen-bonded network. Thermal decomposition under an open system begins with the evolution of ≅ 1 equivalent/formula unit (equiv.) of NH3 at temperatures < 100 °C followed by the decomposition of Ca(NH2BH3)2 to release hydrogen. In a closed-system thermal decomposition process, hydrogen is liberated in two stages, at ca. 70 °C and 180 °C, with the first stage corresponding to an exothermic process. It has been found that the presence of the coordinated NH3 has induced the dehydrogenation to occur at low temperature. At the end of the dehydrogenation, ca. 6 equiv. (ca. 10.2 wt. %) of hydrogen can be released, giving rise to the formation of CaB2N3H.
Inorganic Chemistry


amidoborane, ammonia, ammoniate, calcium amidoborane, hydrogen, hydrogen-storage material, structure, x-ray diffraction, vibrational spectroscopy


Chua, Y. , Wu, H. , Zhou, W. , Udovic, T. , Wu, G. , Xiong, Z. , Wong, M. and Chen, P. (2012), Monoammoniate of Calcium Amidoborane - Synthesis, Structure and Hydrogen-Storage Properties, Inorganic Chemistry, [online], (Accessed June 15, 2024)


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Created January 8, 2012, Updated October 12, 2021