Fakultät für Chemie (inkl. GAUSS)
Recent Submissions
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Quantitative Estimation of Cell Mechanical Cues using Elastic Micropillars
(2025-01-24)Within the intricate landscape of the cellular microenvironment, the inter- play between biochemical and physical signaling emerges as a decisive force shaping the physiology and functions of living cells. Recent insights ... -
Reductive Small Molecule Transformations with Pyrazolate-Based Bimetallic Complexes
(2025-01-23)The activation of small molecules (NO, O2, CO, CO2, N2, etc.) is important in a multitude of fields such as biology, medicine and industrial catalysis. Many synthetic catalysts were inspired by the active sites of ... -
Electron Rich Metallo Nitrene Complexes For Nitrogen Transfer
(2025-01-10)The advent of C–N bond formation by catalytic C–H amination had a huge impact on the synthesis of nitrogen-containing compounds, in academia as well as industry. In contrast to nitrogen-group transfer, complementary ... -
Development of an efficient charge equilibration method for nonlocal neural network potentials with applications in redox chemistry
(2025-01-06)This thesis focuses on the development and application of new methodologies for machine learning potentials in atomistic simulations. The primary contribution of this work is the design and implementation of an optimized ... -
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 ... -
Pallada-Electrocatalyzed Non-Directed C–H Alkenylation and Double C–H Arylation
(2024-12-19)The merger of electrooxidation and transition metal-catalyzed C–H activation has emerged as an increasingly viable platform in molecular syntheses that can avoid stoichiometric chemical redox agents and circuitous functional ... -
Molecularly Imprinted Polymers via RAFT Polymerisation for Biological Applications
(2024-12-03)Antibodies are of great importance in therapeutic, diagnostic and research fields. Producing antibodies synthetically has been a longstanding goal of researchers and may be achieved using molecularly imprinted polymers ... -
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 ... -
Manganese and Ruthenium Catalysis for Sustainable C–H Functionalizations and Polymer Synthesis
(2024-10-28)The ever-growing scarcity of resources, energy crises, and environmental pollution demand the development of sustainable chemical processes for C–C bond formations and efficient post-consumer plastic waste recycling. While ... -
3d-Metall-Käfig-Komplexe als Modelle für aktive Zentren von nicht-Häm Proteinen
(2024-10-22)This thesis presents a broad study on a new ligand system, specially designed for the mimicry of the quasi-chelating coordination by amino acid side chain residues in enzymatic pockets. The ligand system is based on an ... -
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 ... -
Metallaelectro-Catalysis and Aryl Sulfonium Salts in Sustainable C–H Activations and Late-Stage Diversification
(2024-09-17)In the past decades, organic chemistry was dominated by functional group interconversions and cross-coupling chemistry. These techniques allowed the synthesis of a plethora of highly complex molecules and are established ... -
Investigation of vibrational dynamics in alcohol-acid complexes and of monohydrates via FTIR and Raman spectroscopy
(2024-08-27)The vibrational dynamics of complexes between carboxylic acids with alcohols is investigated using Raman and FTIR jet spectroscopy combined with quantum chemical calculations. These complexes bind via intermolecular ... -
Enabling Novel Fluoroalkylation via Sulfonium Salt Transfer Reagents
(2024-08-26)Over the past four decades, sulfonium salt-based transfer reagents have evolved into widely recognized tools for fluoroalkylation in the synthetic chemistry community. These reagents have enabled the incorporation of various ... -
Development of Bone Adhesive Materials based on Collagen-mimetic Peptides and Carbene-mediated Diazirine Crosslinkers
(2024-08-22)Traditional mechanical fixation methods such as screws, support plates, staples, and sutures remain predominant in treating bone trauma. However, these methods can cause localized tissue damage, leading to infection and ... -
Selectivity controlling factors in the reductive elimination of coinage metal complexes
(2024-07-12)In this thesis, reductive elimination reactions and their selectivity-determining factors were investigated using ESI and tandem-MS. To this matter, square-planar coordinated coinage- metalate complexes bearing ... -
Synthesis of Novel Sulfur(VI) Reagents and the Regioselective Functionalization of Helicenes by Hypervalent Reagents
(2024-06-28)The synthesis of novel sulfur(VI) reagents was investigated. For this purpose different sulfurane oxides were synthesized. The functionalization of these compounds was unsuccessful due to decomposition or inertness of the ... -
Isomerization of CO on a NaCl(100) Surface: Evidence for Resonance Enhanced Quantum Tunneling in Condensed Phase
(2024-06-20)Carbon monoxide (CO) physisorbed on a NaCl(100) surface can undergo an isomerization reaction at cryogenic temperatures. In equilibrium conditions, the CO molecule absorbs on the surface with the C-atom closer to the Na+ ... -
meta-C−H Functionalization and Sustainable Electro- /Photoelectrocatalytic C−H/Si−H/Ge−H Activation
(2024-06-18)C−H activation provides a crucial new tool for the construction of C−C bonds in organic chemical synthesis, especially for agrochemistry, the pharmaceutical industry, and materials science, using a large number of existing ...