TY - JOUR
T1 - Structural study and dehydrogenation mechanisms of a novel mixed metal amidoborane
T2 - Sodium magnesium amidoborane
AU - Wang, Kun
AU - Zhang, Jian Guo
PY - 2013/12/18
Y1 - 2013/12/18
N2 - As the first example of a mixed metal amidoborane, Na2Mg(NH 2BH3)4 (DSMAB) contains both alkali and alkaline earth metals, has been demonstrated excellent properties of dehydrogenation. This is the first systematically study on its dehydrogenation mechanism. First, both the periodic and molecular structure have been studied. As for the kinetic study, the energy barrier of the possible dehydrogenation pathway is 57.99 kcal/mol, and the rate of the reaction is 6.0 × 10 -3 min-1, which is consistent with the experiment result and provides evidence that oligomerization is the primary pathway based on the motion of Na+.
AB - As the first example of a mixed metal amidoborane, Na2Mg(NH 2BH3)4 (DSMAB) contains both alkali and alkaline earth metals, has been demonstrated excellent properties of dehydrogenation. This is the first systematically study on its dehydrogenation mechanism. First, both the periodic and molecular structure have been studied. As for the kinetic study, the energy barrier of the possible dehydrogenation pathway is 57.99 kcal/mol, and the rate of the reaction is 6.0 × 10 -3 min-1, which is consistent with the experiment result and provides evidence that oligomerization is the primary pathway based on the motion of Na+.
UR - http://www.scopus.com/inward/record.url?scp=84890118758&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2013.10.054
DO - 10.1016/j.cplett.2013.10.054
M3 - Article
AN - SCOPUS:84890118758
SN - 0009-2614
VL - 590
SP - 27
EP - 34
JO - Chemical Physics Letters
JF - Chemical Physics Letters
ER -