Catalysis and destabilization strategies for the hydrogenation and dehydrogenation of boron/nitrogen systems

该提案的主要目标是开发新的化学/催化剂，以优化氨硼烷（AB）中释放二氢的动力学和程度。AB是一种很有前途的储氢材料（19.6wt%氢），其开发将通过应用两种互补方法而显著推进，所述两种互补方法基于金属试剂的化学计量或催化开发：（i）化学改性，其被设计为破坏固态中的二氢键合的框架，从而促进H2的更容易和完全的释放;和（ii）AB脱氢的过渡金属催化，特别集中于阐明机理信息，从而允许更有效的催化剂体系的合理设计。

The primary objective of this proposal is the development of novel chemistry/catalysis to optimize the kinetics and extent of dihydrogen evolution from ammonia borane (AB). AB represents a very promising hydrogen storage material (19.6 wt % hydrogen), the exploitation of which will be significantly advanced by the application of two complementary approaches, based around either stoichiometric or catalytic exploitation of metal reagents: (i) chemical modification designed to disrupt the framework of dihydrogen bonding in the solid state and thereby facilitate more facile and complete evolution of H2; and (ii) transition metal catalysis of AB dehydrogenation, focussing in particular on the elucidation of mechanistic information, thereby allowing for the rational design of more efficient catalyst systems.