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Showing 1 to 9 of 9 for “"hydrogen activation"”.
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Fluoroalkoxy-functionalized carbenes for main group and transition metal complexes
… and as sterically hindered Lewis bases for hydrogen activation. Chapter 1 reviews the background of carbenes as ligands for main group compounds and transition metal complexes. The history and development of chelating Martin-type fluoroalkoxy ligands to form unique bonding architectures is …
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DFT Studies of the Organocatalytic Aldol Reaction and a Frustrated Lewis Pair
… based on a chiral backbone for the asymmetric hydrogenation of imines and enamines was designed and the ability of hydrogen splitting by this new FLP system was examined by computational modeling and calculating the hydrogen activation energy barrier.
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Structure sensitivity of H2/D2 Isotopic Exchange on Pt/Al2O3 catalysts
… catalysts are widely used industrially for hydrogenation reactions. However, the kinetics of hydrogen activation, a critical step for any hydrogenation reaction, is still not well understood on supported Pt surfaces. Recent studies had shown that activity and selectivity vary with Pt …
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Developing hydrogen oxidation electrocatalysts using a frustrated Lewis pair approach
In order for hydrogen to be utilised as an energy vector, precious metals such as platinum are often employed as electrocatalysts, to enable the efficient conversion of hydrogen into electrical energy. However, the low abundance and high cost of such metals limits their economic viability. …
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Synthetic models of [FeFe]-hydrogenase: case studies utilizing azadithiolate and nitrosyl coligands
Hydrogenases are enzymes that catalyze the reversible interconversion of protons, electrons, and dihydrogen (2H+ + 2e− <-> H2). Because of the potential utility of H2 as an energy carrier, the detailed understanding of hydrogenases has received considerable attention and funding. In particular, …
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Alumina-modified cobalt catalysts for the Fischer-Tropsch synthesis
… are produced using the basic starting materials hydrogen and carbon monoxide, which can be derived from alternative carbon sources such as coal, gas or biomass [1]. Although this process has been studied for almost a century, the effects of the support material on activity, selectivity and …
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Structure Sensitivity in the Subnanometer Regime on Pt and Pd Supported Catalysts
… nanoparticles for various reactions including hydrogenation reactions. However, the relationship between metal nuclearity, electronic and their unique catalytic properties are still unclear. Thus, it is crucial to establish their relations for better future catalyst design. Ethylene …
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NEW GO- AND RGO-BASED MORALS AND CARBENE-FUNCTIONALIZED GOLD NANOPARTICLES FOR HETEROGENEOUSLY CATALYZED REDUCTIONS
… modify catalytic materials for the study of the hydrogen spillover phenomenon, a process in which activated hydrogen atoms migrate from a metal surface onto an adjacent support. Understanding and controlling spillover is of considerable interest, as it can influence reaction pathways, extend the …
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ORGANOMETALLIC CHEMISTRY FROM THE INTERACTING QUANTUM ATOM APPROACH
The Interacting Quantum Atoms approach(IQA) is a recent development of Bader’s QTAM(Quantum Theory of Atoms in Molecules). During the PhD studies the use of pseudopotential inside IQA was implemented allowing the study of transition metal compounds with this techniques. Furthermore IQA concepts …