Dokumente Fakultät für Chemie (inkl. GAUSS) nach Erscheinungsdatum
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Testing tube model predictions on semi-flexible polymer networks
(2023-11-13)The mechanical properties of simple entangled actin filament networks in eukaryotes are well understood as they are predictable with model systems. The high complexity of cellular actin structures like the cell cortex for ... -
Plasmagestützte Syntheseverfahren zur Erzeugung von Parylene-Metall-Multilayersystemen
(2023-10-27)This dissertation comprises the investigation of new synthesis possibilities of Parylene-metal multilayer systems with all process steps united in a single Parylene coating device. For this purpose, the metal layer component ... -
Weiterentwicklung diffusionsspektroskopischer NMR-Methoden für metallorganische Schlüsselverbindungen
(2023-10-02)This work has extended the development and application of NMR diffusion spectroscopic techniques for the determination of the molecular weight of compounds in solution. In the process, methylcyclohexane-d14 was added to ... -
Barriers of Protonation Reactions of Organometallics
(2023-09-20)Protonation reactions are entirely understood for simple organic and inorganic molecules and there are elaborated concepts to describe such acid-base reactions in both the solution and gas phase. For organometallic species, ... -
Diversity-Oriented Assembly of C-Glycosides via Late-Stage C−H Glycosylation
(2023-08-29)C-glycosides are widely distributed structural motifs found in natural products and commercially available drug molecules. Due to the stability of glycosidic C-C bonds against chemical and enzymatic hydrolysis, only ... -
Cobalt-Catalyzed Olefin Hydrogenation
(2023-08-04)This thesis describes the synthesis and isolation of the cobalt complexes, using PNP-pincer ligand system with tert-butyl substituents. The neutral and cationic cobalt hydrides were further probed in olefin hydrogenation ... -
Reactivity at surfaces with high-dimensional neural network potentials
(2023-07-24)The surface of a material is critical for its properties, especially in heterogeneous catalysis. Surfaces properties can be probed, for example, by H atom scattering. However ab-inito theoretical investigations of H atom ... -
Tailoring and Exploiting Magnetic Anisotropy in Low Coordinate 3d Transition Metal Complexes.
(2023-07-04)Among 3d transition metal based SMMs, Co(II) SMMs is the most-studied group owning to the high-spin electronic configuration (CoII, d7) which yields second-order spin-orbit coupling or even first-order spin-orbit coupling. ... -
Bioinspired dioxygen activation with copper complexes supported by Bis(oxazoline) and Bis(benzimidazole) ligands
(2023-06-20)Many synthetic complexes modeling the oxy form of the tyrosinase have been developed and have shown a preference for either the side-on peroxodicopper(II) (P) or the bis(-oxo)dicopper(III) (O) core depending on the ... -
Relevance of formins in the wound healing and actomysin cortex dynamics of cardiac fibroblasts
(2023-06-12)Upon myocardial infarction, the natural healing response triggers the fibroblast-to-myofibroblast transition (FMT). Through this process, fibroblasts acquire a myofibroblast phenotype by which they present increased mobility, ... -
Sustainable Methods in C–H Functionalizations
(2023-05-30)Cross-coupling chemistry has matured in an attractive tool in synthetic organic chemistry to realized efficient formation of C‒C and C‒Het bonds. However, these transformations are also associated with certain drawbacks, ... -
Vibrational Frequencies of Molecular Systems using High Dimensional Neural Network Potentials
(2023-05-08)Computational Chemistry is an important field in chemistry which looks for solu- tions for several questions such as reaction mechanisms, design of experiments and understanding fundamental properties of molecules. For ... -
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. ... -
Method Development for Benchmarking Key Interactions in Quantum Crystallography
(2023-03-23)The thesis presents different approaches to obtain benchmarkable data from (quantum) crystallographic methods. In a first approach, it tackled structure - fluorescence relationships in anthracene derivates with a focus on ... -
Electrospray-Ionization Mass Spectrometry for the Analysis and Quantification of Carbanions
(2023-03-23)The suitability of ESI-MS for the analysis of carbanions was investigated, including the effects of their basicity, concentration and the experimental conditions. This was followed by exemplary applications, such as live ... -
New Synthetic Analogues for Biological Fe/S Clusters
(2023-03-20)Iron-sulfur (Fe/S) clusters are omnipresent and are essential components in virtually all life forms due to their versatile structures and functions. Biological systems extensively employ Fe/S clusters, especially with ... -
Electrochemical Benzylic C−H Fluorination and 4d-Metallaelectro-Catalyzed C−H and C−C Functionalizations
(2023-03-15)Direct functionalizations of C−H and C−C bonds have emerged as time-saving and cost-effective alternatives to established cross-coupling reactions. However, oxidative coupling variants require stoichiometric amounts of ... -
Mikroskopische Reaktivität Metallorganischer Spezies
(2023-03-15)In oder to better understand cross-coupling reactions, the oxidative addition between organo halides and organometallates based on iron, cobalt and copper was investigated by using ion-molecule reactions in the gas phase. ... -
Tetradentate NHC/Thiolato and NHC/Alcoholato Hybrid Scaffolds – A Nickel(II) Complex as Bidentate Metalloligand in 3d Transition Metal Chemistry
(2023-03-08)Research and development of N-heterocyclic carbene (NHC)-based ligands has flourished in recent decades. Herein, The new bis-imidazolinium proligands were designed and synthesized to serve as tetradentate bis(NHC)-dithiolato ... -
Charge-density analyses of metal complexes of the bis(benzoxazol-2-yl)methanide ligand
(2023-03-03)In this thesis, several metal complexes of the bis(4-CH3-benzoxazol-2-yl)mehanide (MeBOX) ligand were investigated in charge density studies based on high-resolution single-crystal X-ray diffraction experiments. The aluminium ...