Catalytic hydrogenation is one of the most effective ways to convert CO2 high value-added chemicals, and it challenging improve catalytic activity product selectivity based on understanding catalysis mechanism process. In this work, organic phosphonic acid was innovatively employed tune single atom catalyst for methanol, effect fluoromethylphosphonic (FMPA) electronic structure molybdenum react...

A classical but new kinetic equation to estimate activation energies of various hydride transfer reactions was developed according to transition state theory using the Morse-type free energy curves of hydride donors to release a hydride anion and hydride acceptors to capture a hydride anion and by which the activation energies of 187 typical hydride self-exchange reactions and more than thirty ...

Metal hydride applications span a wide variety of tech! nologies\ e[g[\ energy conversion\ chemical compressors and hydrogen storage[ A knowledge of heat and mass transfer in a metal hydride reactor during the absorption and desorption of hydrogen is important for performance optimization of the reactor[ One of the key requirements in the design of metal hydride bed is the enhancement of the e}...

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(+).

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...