Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7707246 | International Journal of Hydrogen Energy | 2018 | 9 Pages |
Abstract
Ammonia borane (AB) is an outstanding hydrogen-storage material, which has been gained many attentions. It can be regenerated from polyborazylene based on the experimental study, but the uncontrollable BN dehydro-coupling in the polymerization from AB to borazine is still a problem for the continuous application of AB. Frustrated Lewis Pairs (FLPs) is a landmark discovery to dissociate small molecules by activating strong nonpolar bonds reversibly, which is recently applied to directly polymerize three molecular AB to a cyclotriborazylene (CTB, B3N3H12, which transforms into borazine after releasing 3 equiv. H2). Here we analyse how a dimethylxanthene-derived FLPs catalyse AB to CTB. The cyclization experiences three steps by our calculation: the connection between FLPs and AB (1), the growth of BN chain (2) and an intermolecular dehydrogenation between terminal N-Hδ+ and δâHB (3), which gives us a clue of a possible reversibility of the dehydrogenation of AB and broadens the applicability of this concept in the relevant catalyst design.
Related Topics
Physical Sciences and Engineering
Chemistry
Electrochemistry
Authors
Kun Wang, Long-jiu Cheng, Jian-guo Zhang, Xue-bin Yu,