Magnesium based alloys are promising solid materials for hydrogen storage. However, it is a real challenge to synthesise storage with high capacity and low dehydrogenation temperature. Here, we have performed extensively structural searches ternary magnesium-based compounds of ${\mathrm{Mg}}_{7}\mathrm{Nb}{\mathrm{H}}_{n}$ n ranging from 16 25 by calypso method first-principles calculations. We...

Attempts to generate a proposed rhodium hydride catalytic intermediate instead resulted in isolation of (Cp*H)Rh(bpy)Cl (1), a pentamethylcyclopentadiene complex, formed by C-H bond-forming reductive elimination from the fleeting rhodium hydride. The hydride transfer ability of diene 1 was explored through thermochemistry and hydride transfer reactions, including the reduction of NAD(+).

Magnesium borohydride (Mg(BH4)2) is an attractive compound for solid-state hydrogen storage due to its lucratively high densities and theoretically low operational temperature. Hydrogen release from Mg(BH4)2 occurs through several steps. The reaction intermediates formed at these steps have been extensively studied a decade. In this work, we apply spectroscopic methods that rarely used in such ...

Aluminum hydride, a very interesting and valuable reducing agent, has been widely used in numerous applications in organic syntheses. Jorgenson first reported the comparison in the reducing properties between lithium aluminum hydride and aluminum hydride on the reduction of cinnamaldehyde, and Brown and Yoon reported a systematic study on the reducing properties of aluminum hydride in THF. Fina...

Abstract Reaction of a hexagonal planar palladium complex featuring [PdMg 3 H ] core with 2 is reversible and leads to the formation new 4 tetrahydride species alongside an equivalent magnesium hydride co‐product [MgH]. While reversibility this process prevented isolation ], analogous [PtMg [PtZn complexes could be isolated characterised through independent syntheses. Computational analysis (DF...

The hydridic character of octahedral metal hydride complexes of groups VI, VII and VIII has been systematically studied using molecular electrostatic potential (MESP) topography. The absolute minimum of MESP at the hydride ligand (Vmin) and the MESP value at the hydride nucleus (VH) are found to be very good measures of the hydridic character of the hydride ligand. The increasing/decreasing ele...