Niobocene hydride–silyl complexes exhibit intriguing structural characteristics with the potential for direct hydride/silyl exchange, where hydride migration plays a crucial role during conformational interconversion. In this study, quantum che...
Hydrides have emerged as strong candidates for energy storage applications and their study has attracted wide interest in both the academic and industry sectors. With clear advantages due to the solid-state storage of hydrogen, hydrides and in partic...
Hydrogen has a very diverse chemistry and reacts with most other elements to form compounds, which have fascinating structures, compositions and properties. Complex metal hydrides are a rapidly expanding class of materials, approaching multi-function...
As a desired feedstock for sustainable energy source and for chemical synthesis, the capture and utilization of CO2 have attracted chemists’ continuous efforts. The homogeneous CO2 insertion into a nickel hydride complex to generate formate pro...
This review describes recent research in the development of tank systems based on complex metal hydrides for thermolysis and hydrolysis. Commercial applications using complex metal hydrides are limited, especially for thermolysis-based systems where...
The recent advances on the effects of microstructural refinement and various nano-catalytic additives on the hydrogen storage properties of metal and complex hydrides obtained in the last few years in the allied laboratories at the University of Wate...
Complexes displaying multiple bonds between different metal atoms have considerable synthetic potential because of the combination of the high electronic and coordinative unsaturation associated to multiple bonds with the intrinsic polarity of hetero...
The side-on end-on dinitrogen hydride complex [{Na(dme)}2{(O3)Nb}2(μ-η1:η2-N2)(μ-H)2] (3-Na, [O3]3− = [(3,5-tBu2-2-O-C6H2)3CH]3−) was observed to undergo facile elimination of H2 and cleavage of the N–N bond in the pre...
Acid-base characteristics (acidity, pKa, and hydricity, ΔG°H− or kH−) of metal hydride complexes could be a helpful value for forecasting their activity in various catalytic reactions. Polarity of the M–H bond may change r...
Being valuable precursors in the production of adhesives, lubricants, and other high-performance synthetic compounds, alkene dimers and oligomers can be obtained using homogeneous zirconocene catalytic systems. Further advances in such systems requir...
Hydrogen storage in general is an indispensable prerequisite for the introduction of a hydrogen energy-based infrastructure. In this respect, high-pressure metal hydride (MH) tank systems appear to be one of the most promising hydrogen storage techni...
Synthesis and reactivities of a new mononuclear hydroxidoiridium(III) complex with a pentamethylcyclopentadienyl (Cp*) ligand are reported. The hydroxido ligand was introduced into an iridium complex having a nonprotic amine chelate derived from N-me...
Complex hydrides, such as LiBH4, are a promising class of ion conductors for all-solid-state batteries, but their application is constrained by low ion mobility at room temperature. Mixing with halides or complex hydride anions, i.e., other complex h...
Over the years, RuIV(bpy)2(py)(O)2+([RuIVO]2+) has garnered considerable interest owing to its extensive use as a polypyridine mono-oxygen complex. However, as the active-site Ru=O bond changes during the oxidation process, [RuIVO]2+ can be used to s...
Hydrogen storage materials have been a subject of intensive research during the last 4 decades. Several developments have been achieved in regard of finding suitable materials as per the US-DOE targets. While the lightweight metal hydrides and comple...
The goal of finding efficient and safe hydrogen storage material motivated researchers to develop several materials to fulfil the demand of the U.S. Department of Energy (DOE). In the past few years, several metal hydrides, complex hydrides such as b...
A systematic study of different ratios of CO, CO2, N2 gas components on the hydrogen storage properties of the Na3AlH6 complex hydride with 4 mol% TiCl3, 8 mol% aluminum and 8 mol% activated carbon is presented in this paper. The different concentrat...
Hexagonal BN (h-BN) has emerged as an important ultrawide bandgap (UWBG) semiconductor (Eg~6 eV). The crystal growth technologies for producing semi-bulk crystals/epilayers in large wafer sizes and understanding of defect properties lag decades behin...
An approach to various metal hydrides based on electronic principles is presented. The effective medium theory (EMT) is used to illustrate fundamental aspects of metal-hydrogen interaction and clarify the most important processes taking place during...
Hydrogen is widely regarded as a key energy carrier of the future; however, its efficient and safe storage remains one of the central scientific and technological challenges. This article systematizes contemporary approaches to hydrogen storage, with...
RbAlH4, a member of the complex metal aluminum hydride family, can be synthesized phase pure by different synthesis routes. Synthesis from the metals by a mechanochemical reaction requires the presence of a catalyst, but also emphasizes the reversibi...
The reaction of (trimethylsilyl)acetylene with the phosphinito phosphanido Pt(I) complex [(PHCy2)Pt(μ-PCy2){κ2P,O-μ-P(O)Cy2}Pt(PHCy2)](Pt-Pt) (1) results in the protonation of the Pt-Pt bond with the formation of the bridging hydride complex [(PHCy2)...
The dehydriding process and hydrogen–deuterium exchange (H–D exchange) of xLiBH4 + (1 − x)Mg2FeD6 (x = 0.25, 0.75) composites has been studied in detail. For the composition with x = 0.25, only one overlapping mass peak of all hydrogen and deuterium...
In this work, we analyzed five groups of different dihydrogen bonding interactions and hydrogen clusters with an H
We report the stabilization of the high-temperature (high-T) phase of lithium carba-closo-decaborate, Li(CB9H10), via the formation of solid solutions in a Li(CB9H10)-Li2(B12H12) quasi-binary system. Li(CB9H10)-based solid solutions in which [CB9H10]...
Knowledge about the ground-state crystal structure is a prerequisite for the rational understanding of solid-state properties of new materials. To act as an efficient energy carrier, hydrogen should be absorbed and desorbed in materials easily and in...
In the field of energy storage, recently investigated nanocomposites show promise in terms of high hydrogen uptake and release with enhancement in the reaction kinetics. Among several, carbonaceous nanovariants like carbon nanotubes (CNTs), fullerene...
Pristine complex quaternary hydride (LiBH4/2LiNH2) and its destabilized counterpart (LiBH4/2LiNH2/nanoMgH2) have recently shown promising reversible hydrogen storage capacity under moderate operating conditions. The destabilization of complex hydride...
The hydrogen desorption and absorption reactions of the complex metal hydride NaAlH4 are disproportionation processes, and the kinetics can be improved by adding a few mol% of Ti compounds, although the catalytic mechanism, including the location and...
In previous studies, complex hydrides LiBH4 and Mg2FeH6 have been reported to undergo simultaneous dehydrogenation when ball-milled as composite materials (1 − x)LiBH4 + xMg2FeH6. The simultaneous hydrogen release led to a decrease of the dehydrogena...
This paper aims at addressing the exploitation of solid-state carriers for hydrogen storage, with attention paid both to the technical aspects, through a wide review of the available integrated systems, and to the social aspects, through a preliminar...
In this work, the combined effects of anion substitution (with Br− and I−) and SiO2 addition on the Li-ion conductivity in LiBH4 have been investigated. Hexagonal solid solutions with different compositions, h-Li(BH4)1−α(X)&al...
Mg2FeH6 is regarded as potential hydrogen and thermochemical storage medium due to its high volumetric hydrogen (150 kg/m3) and energy (0.49 kWh/L) densities. In this work, the mechanism of formation of Mg2FeH6 under equilibrium conditions is thoroug...
Searching for new and efficient transfer hydrogenation catalysts, a series of new organometallic ruthenium(II)-arene complexes of the formulae [Ru(η6-p-cymene)(L)Cl][PF6] (1–8) and [Ru(η6-p-cymene)(L)Cl][Ru(η6-p-cymene)Cl3] (9&ndash...
Aluminum hydrides are versatile compounds utilized as reducing agents, precursors of aluminum complexes, and as catalysts for polymerization reactions. However, their photophysical properties have been overlooked, although several luminescent aluminu...
Hydrogen as an energy carrier is very versatile in energy storage applications. Developments in novel, sustainable technologies towards a CO2-free society are needed and the exploration of all-solid-state batteries (ASSBs) as well as solid-state hydr...
A new simple one-pot two-step protocol for the synthesis of 2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate from 2-(2-(benzylamino)benzylidene)malonate under the action of BF3·Et2O was developed. It was shown that the reaction proceeds through...
Substituted bis(iminophosphoranyl)methanes are CH acidic compounds that can form complexes with formally dianionic central carbon centres. The reaction of H2C(Ph2P=NDip)2 (≡ H2L), Dip = 2,6-diisopropylphenyl, with one equivalent of di-n-butylmagnesiu...
Nano-confined chemical reactions bear great promise for a wide range of important applications in the near-to-medium term, e.g., within the emerging area of chemical storage of renewable energy. To explore this important trend, in the present work, r...
The safest way to store hydrogen is in solid form, physically entrapped in molecular form in highly porous materials, or chemically bound in atomic form in hydrides. Among the different families of these compounds, alkaline and alkaline earth metals...
Hydrogen has many positive attributes that make it a viable choice to augment the current portfolio of combustion-based fuels, especially when considering reducing pollution and greenhouse gas (GHG) emissions. However, conventional methods of storing...
Multiple-phase hydrogen storage materials such as metal alanates and borohydrides, and destabilized systems offer the possibility of high hydrogen storage capacity with favorable thermodynamics. However, the multiphase nature of these materials intri...
This work reports the one-pot synthesis of sterically demanding aniline derivatives from aryllithium species utilising trimethylsilyl azide to introduce amine functionalities and conversions to new examples of a common N,N′-chelating ligand sys...
Composites based on Mg2Ni with 5% activated carbon from apricot stones (ACAP) have been prepared by ball milling and subsequent annealing in hydrogen atmosphere. The purpose of the primary metal (Mg, Ni, and V) milling was to reduce the particle size...
In this work, the possibility of creating a polymer-based adaptive scaffold for improving the hydrogen storage properties of the system 2LiH+MgB2+7.5(3TiCl3·AlCl3) was studied. Because of its chemical stability toward the hydrogen storage mate...
LiAlH4 and NaAlH4 are considered to be promising hydrogen storage materials due to their high hydrogen density. However, their practical use is hampered by the lack of hydrogen reversibility along with poor kinetics. Nanosizing is an effective strate...
In this work, density functional theory (DFT)-based first-principles investigations are performed by Generalized Gradient Approximation (GGA) with the Perdew–Burke–Ernzerhof (PBE) functional in the CASTEP code. These simulations provide t...
A mandatory prerequisite for a good hydrogen storage material is long-term stability in hydriding/dehydriding reactions, in a suitable temperature interval (250–350 °C for magnesium intermetallics). A 50-cycle hydriding/dehydriding stabilit...
LiNH2 and a pre-processed nanoMgH2 with 1:1 and 2:1 molar ratios were mechano-chemically milled in a high-energy planetary ball mill under inert atmosphere, and at room temperature and atmospheric pressure. Based on the thermogravimetric analysis (TG...
Bis(diphenylphosphino)methane copper(I) tetrahydroborate was synthesized by ligands exchange in bis(triphenylphosphine) copper(I) tetrahydroborate, and characterized by XRD, FTIR, NMR spectroscopy. According to XRD the title compound has dimeric stru...
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