The molecular calcium hydride, [(BDI)CaH]2 (BDI = HC{(Me)CN-2,6-i-Pr2C6H3}2), effects the slow hydrodehalogenation of C6H5X (X I, Br) to provide benzene and respective dimeric halides, [(BDI)CaX]2. Although a similar reaction with fluorobenzene was non-discriminating, analogous hydrogenation chlorobenzene observed, albeit this process yields hydride-chloride as alkaline earth-containing product...

Hydrogen-rich compounds hold promise as high-temperature superconductors under high pressures. Recent theoretical hydride structures on achieving high-pressure superconductivity are composed mainly of H(2) fragments. Through a systematic investigation of Ca hydrides with different hydrogen contents using particle-swam optimization structural search, we show that in the stoichiometry CaH(6) a bo...

Vibration-rotation and pure rotational data in the X2Σ+ ground state and electronic data from the A2Π – X2Σ+ and B2Σ+ − X2Σ+ transitions of CaH and CaD were used in the quantum-mechanical direct-potential-fit (DPF) analysis to determine an analytic potential energy function for the X2Σ+ ground state of CaH, and a radial correction function for the CaD isotopologue. The potential energy function...

Storage of hydrogen is one of the key challenges in developing hydrogen economy. Magnesium hydride (MgH2) is an attractive candidate for solid-state hydrogen storage for on-board applications. In this study, 10 wt.% ZrB2 was co-milled with magnesium hydride at different milling times to produce nanocrystalline composite powder. The effect of milling time and additive on the hydrogen desorption...

storage of hydrogen is one of the key challenges in developing hydrogen economy. magnesium hydride (mgh2) is an attractive candidate for solid-state hydrogen storage for on-board applications. in this study, 10 wt.% zrb2 was co-milled with magnesium hydride at different milling times to produce nanocrystalline composite powder. the effect of milling time and additive on the hydrogen desorption ...

A one-pot two-step reaction (Knoevenagel condensation - reduction of the double bond) has been developed using calcium hydride as a reductant in the presence of a supported noble metal catalyst. The reaction between carbonyl compounds and active methylene compounds such as methylcyanoacetate, 1,3-dimethylbarbituric acid, dimedone and the more challenging dimethylmalonate, affords the correspond...