Dehydrogenation Pathways News Today

Abstract The intra-molecular proton transfer of octahydrotriborate, [B H ] , is discovered by density functional theory (DFT) computational studies; such a transfer can largely impact its dehydrogenation pathways. The DFT calculation results further disclose the generation of another triborane intermediate product, B H , which is formed via inter-molecular proton transfer from [NH ] to [B H ] . Additionally, this intermediate product is unstable and can release hydrogen easily, as the correspo...