Browsing Fakultät für Chemie (inkl. GAUSS) by Referee "Schwarzer, Dirk Prof. Dr."
Now showing items 1-20 of 38
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Mechanistic Studies of Hydrogen Recombination and Water Formation on Palladium Surfaces
(2024-12-19)In heterogeneous catalysis, one of the major challenges is to determine which microscopic processes are of importance for the reaction to occur with desired activity and selectivity. Efforts towards a fundamental understanding ... -
Evaluation of a new VUV-FEL surface science end station using atomic beam surface scattering and velocity-resolved surface reaction dynamics
(2024-12-03)Abstract: 1. Atomic oxygen scattering from HOPG It has been unequivocally established that the electronic spin of a molecule significantly influences reactivity in gas phase reactions. However, the presence of clear ... -
Proton-Coupled Electron Transfer Studies on a Series of Osmium and Iridium Hydride Complexes
(2024-11-15)Due to the important role of transition metal hydrides in organometallic catalysis, their properties and reactivity have been thoroughly investigated and reviewed. Considering their importance, substantial efforts were ... -
Mechanistic Studies on flat and stepped Palladium Single Crystal Surfaces: Experimental Evidence of Reaction Intermediates for the Decomposition of Formic Acid and Oxidation of Ammonia
(2024-10-04)In this work, experimental and theoretical investigations of formic acid desorption, decomposition and ammonia oxidation on single crystal palladium surfaces are presented. The formic acid system is investigated using a ... -
Schwingungsspektroskopische Untersuchungen der Wasserstoffbrückendynamik in Alkohol-α-Hydroxyester-Komplexen aus topologischer und chiraler Perspektive
(2024-04-26)The success of an organocatalytic reaction in which the bond between substrate and catalyst is non-covalent, e.g. in the form of a hydrogen bond, is determined by the topology of the hydrogen bond in the prereactive complex. ... -
Femtosecond spectroscopy of charge-transfer dynamics in self-assembled Pd(II) based donor-acceptor/host-guest cages and heterobinuclear alkyne-bridged W(II)-Ru(II) and W(II)-Ir(III) complexes
(2024-04-11)Using femtosecond UV/vis-pump-UV/vis-probe and -midIR-probe absorption spectroscopy the charge-transfer dynamics of self-assembling donor-acceptor Pd(II) coordination cages and heterobinuclear alkyne-bridged W(II)-Ru(II) ... -
Exploiting the Disulfide/Thiol Switch for Photoinduced Proton-Coupled Multielectron Transfer Reactivity
(2024-03-27)Energy storage and efficient release has become a pivotal issue for our society relying progressively on renewable energy sources. The dichotomy between harvesting the sun’s energy in daylight hours, and requiring it the ... -
Inelastic Hydrogen Atom Scattering from Semiconductor Surfaces
(2023-12-11)The adiabatic approximation is widely applied to describe interactions of atoms and molecules with solid surfaces. It assumes that the electronic system stays in the lowest-energy ground state during the interaction and ... -
Application of Laser Induced Desorption to study Velocity-Resolved Kinetics
(2023-05-04)In this work, I present a new method to measure velocity-resolved kinetics (VRK) of chemical reactions on surfaces. Ultra-fast laser-induced desorption (LID) is utilized as a tool to directly measure coverages of adsorbates. ... -
Surface scattering dynamics of graphene and graphite
(2022-04-26)Since its first successful preparation in 2004, graphene has been extensively studied because of its outstanding mechanical, thermal and electronic properties. Graphene is an especially interesting material because of its ... -
Chirality Detection of Surface Desorption Products using Photoelectron Circular Dichroism
(2022-03-16)In this thesis, I demonstrate the combination of chirality detection via photoelectron circular dichroism with surface scattering experiments and present a novel molecular beam surface science apparatus, specially designed ... -
Probing Molecule-Surface Interactions through Thermal Desorption Rates
(2022-01-13)The accurate description of chemical reaction rates at surfaces is essential for the understanding of heterogeneous catalysis. As industrial catalysts are in general complex, fundamental understanding on how they work ... -
Ab initio molecular dynamics simulations of molecular scattering from metal(111) surfaces
(2021-08-26)In this thesis, I report on ab initio molecular dynamics (AIMD) simulations of scattering experiments of CO and NO from Au(111) and Ag(111) surfaces and provide minimum energy pathway (MEP) calculations of the dissociation ... -
N2 Splitting and Functionalization in the Coordination Sphere of Tungsten
(2020-12-02)The splitting and functionalization of N2 remains one of the most challenging reactions in coordination chemistry. In this thesis a series of four isostructural end-on N2 bridged ditungsten-PNP-pincer complexes are synthesized ... -
IR-Untersuchung von schwach gebundenen Molekülaggregaten im Überschallstrahl
(2020-11-16)Quantum chemical methods can be benchmarked by investigating cold and isolated molecular clusters in supersonic expansions via FTIR spectroscopy. The long absorption path necessary for sufficient intensity leads to a high ... -
Carboxylic Acids Under Vibrational Scrutiny: Experimental Reference Data to Benchmark Quantum Chemical Calculations
(2020-10-20)Accurate vibrational reference data on carboxylic acids and their small hydrogen bonded clusters are provided in a multi-spectroscopic study to challenge and test the performance of modern quantum chemical calculations. ... -
Designing New Heterometallic [2 x 2] Grids using Pyrazolate-bridged Ligands
(2020-02-18)This dissertation focusses on designing new heterometallic [2 x 2] grids based on pyrazolate-bridged ligands exhibiting interesting magnetic and redox properties. To date, numerous homometallic metallogrids have been ... -
Scattering of vibrationally excited NO from vanadium dioxide
(2020-01-24)This work investigates the surface dynamics of vanadium dioxide with nitric oxide in dependence of its metal-to-insulator transition (MIT) at 68 °C. At lower temperatures VO2 has a monoclinic lattice structure which has ... -
The Dynamics of Highly Vibrationally Excited CO Scattered from Metal Surfaces
(2019-04-26)Supersonic molecular beams of highly vibrationally excited CO are scattered from atomically clean Au(111) and Ag(111) surfaces. Specifically, incident CO is prepared in the (v = 17, J = 0) state of the electronic ground ... -
Inelastic H-Atom scattering from ultra-thin films
(2018-09-05)This thesis contains experimental and theoretical fundamental studies of energy transfer processes on various surfaces via inelastic hydrogen atom scattering using the Rydberg atom tagging machine. The initial investigations ...