Mechanistic study of LiNH(2)BH(3) formation from (LiH)(4) + NH(3)BH(3) and subsequent dehydrogenation.

Abstract

The formation of LiNH(2)BH(3) from (LiH)(4) and NH(3)BH(3) and the subsequent dehydrogenation have been studied computationally at the CCSD(T)/6-311++G(3d,2p)//MP2/6-311++G(2d,p) level. A cubic unit of (LiH)(4) is predicted to react readily with NH(3)BH(3) to form LiNH(2)BH(3) plus H(2). The (LiH)(4) tetramer enables dehydrogenation through the exchange of… (More)
DOI: 10.1021/ic9001835

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Cite this paper

@article{Lee2009MechanisticSO, title={Mechanistic study of LiNH(2)BH(3) formation from (LiH)(4) + NH(3)BH(3) and subsequent dehydrogenation.}, author={Tae Bum Lee and Michael L. McKee}, journal={Inorganic chemistry}, year={2009}, volume={48 16}, pages={7564-75} }