Amminelithium amidoborane Li(NH3)NH2BH3: a new coordination compound with favorable dehydrogenation characteristics.

The monoammoniate of lithium amidoborane, Li(NH(3))NH(2)BH(3), was synthesized by treatment of LiNH(2)BH(3) with ammonia at room temperature. This compound exists in the amorphous state at room temperature, but at -20 degrees C crystallizes in the orthorhombic space group Pbca with lattice parameters of a = 9.711(4), b = 8.7027(5), c = 7.1999(1) A, and V = 608.51 A(3). The thermal decomposition behavior of this compound under argon and under ammonia was investigated. Through a series of experiments we have demonstrated that Li(NH(3))NH(2)BH(3) is able to absorb/desorb ammonia reversibly at room temperature. In the temperature range of 40-70 degrees C, this compound showed favorable dehydrogenation characteristics. Specifically, under ammonia this material was able to release 3.0 equiv hydrogen (11.18 wt %) rapidly at 60 degrees C, which represents a significant advantage over LiNH(2)BH(3). It has been found that the formation of the coordination bond between ammonia and Li(+) in LiNH(2)BH(3) plays a crucial role in promoting the combination of hydridic B-H bonds and protic N-H bonds, leading to dehydrogenation at low temperature.