Jepsen, Lars H. Lee, Young-Su Cerny, Radovan Sarusie, Ram S. Cho, Young Whan Besenbacher, Flemming Jensen, Torben R. 2024-01-20T06:02:37Z 2024-01-20T06:02:37Z 2021-09-05 2015-10 1864-5631 https://pubs.kist.re.kr/handle/201004/124952 A new series of solvent- and halide-free ammine strontium metal borohydrides Sr(NH3)(n)(BH4)(2) (n=1, 2, and 4) and further investigations of Ca(NH3)(n)(BH4)(2) (n=1, 2, 4, and 6) are presented. Crystal structures have been determined by powder XRD and optimized by DFT calculations to evaluate the strength of the dihydrogen bonds. Sr(NH3)(BH4)(2) (Pbcn) and Sr(NH3)(2)(BH4)(2) (Pnc2) are layered structures, whereas M(NH3)(4)(BH4)(2) (M=Ca and Sr; P2(1)/c) are molecular structures connected by dihydrogen bonds. Both series of compounds release NH3 gas upon thermal treatment if the partial pressure of ammonia is low. Therefore, the strength of the dihydrogen bonds, the structure of the compounds, and the NH3/BH4- ratio for M(NH3)(n)(BH4)(m) have little influence on the composition of the released gasses. The composition of the released gas depends mainly on the thermal stability of the ammine metal borohydride and the corresponding metal borohydride. English WILEY-V C H VERLAG GMBH HYDROGEN STORAGE THERMAL-DECOMPOSITION METAL BOROHYDRIDES CRYSTAL-STRUCTURE X-RAY COMPLEX HYDRIDES AMMONIA DEHYDROGENATION PRESSURE OCTAAMMONIATE Ammine Calcium and Strontium Borohydrides: Syntheses, Structures, and Properties Article 10.1002/cssc.201500713 1 CHEMSUSCHEM, v.8, no.20, pp.3472 - 3482 CHEMSUSCHEM 8 20 3472 3482 scie scopus 000363683000015 2-s2.0-84945484491 Chemistry, Multidisciplinary Green & Sustainable Science & Technology Chemistry Science & Technology - Other Topics Article HYDROGEN STORAGE THERMAL-DECOMPOSITION METAL BOROHYDRIDES CRYSTAL-STRUCTURE X-RAY COMPLEX HYDRIDES AMMONIA DEHYDROGENATION PRESSURE OCTAAMMONIATE alkaline earth metals boron hydrogen structure elucidation reaction mechanisms