Fakultät für Chemie (inkl. GAUSS)
Recent Submissions
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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. ... -
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 ... -
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 ... -
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 ... -
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. ... -
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 ... -
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 ... -
Bis(benzoxazol-2-yl)methanides in main group organometallic syntheses and enquiry-based education
(2023-02-27)The dissertation entitled “Bis(benzoxazol-2-yl)methanides in main group organometallic syntheses and enquiry based education” constitutes three main chapters. Each chapter concerns a different project the author worked on ... -
A Fragment-Based Construction of a Neural Network Potential for Metal-Organic Frameworks
(2023-02-24)In recent years, many types of machine learning potentials (MLPs) have been developed, which are used to represent the high-dimensional potential-energy surface (PES) of a chemical system with similar accuracy as electronic ... -
Rhenium Mediated Formation of N-Containing Organic Compounds by Nitride Transfer
(2023-01-26)N-containing organic compounds occur in all the organisms, such as in the form of amino acids (and thus proteins), nucleic acids (DNA and RNA), and in the form of energy transfer molecule adenosine triphosphate. The human ... -
Transition Metal- and Electro-Catalyzed C-H and B-H Activation for the Efficient Synthesis of Carborane Derivatives
(2023-01-12)The emergence and rapid development of transition metal-and electro-catalyzed C-H activation has proven to be a powerful tool in the assembly of complex molecular structures. in addition, the selective synthesis of carborane ... -
Fixing the Conformation in Helicenes: Enantioselective Synthesis of [5]Helicenes and Synthesis of In-Fjord Substituted Expanded Helicenes
(2022-12-16)By combining the 3,3’-disubstituted BINOL-derived backbone and different cationic rests, a new family of α-cationic chiral phosphonites has been synthesized. Coordination to Au(I) afforded the corresponding precatalysts. ... -
Novel Near-Infrared-Emitting (Nano)Materials for Bioimaging
(2022-12-16)The scientific interest around in vivo biomedical imaging has strongly increased in recent years due to its benefits compared to other diagnostic tools. Fluorophores that emit in the near-infrared region of the electromagnetic ... -
Structure and Mechanics of Membrane-bound Vimentin Filaments and Networks under Strain
(2022-12-16)The shape and mechanical properties of eukaryotic cells are determined by the cytoskeleton, composed of actin filaments, microtubules and intermediate filaments (IFs). Among these, IFs are considered to be the main ... -
Diols under Investigation: Benchmarking their Monomers, Dimers and Chirality Recognition
(2022-12-14)A large variety of different 1-2,-diols are investigated with regards to their monomers, dimers and chirality recognition. Jet-Raman and microwave spectroscopy are used to spectrally characterise the systems. The results ... -
Untersuchungen zur Aggregation des ALS-relevanten TDP-43(307-347)
(2022-12-12)Amyotrophic lateral sclerosis (ALS) is a fatal, multicausal, neurodegenerative disease for which there is so far no cure. Abnormal cytoplasmic aggregates of TDP-43, a multifunctional RNA-binding protein, are a pathological ... -
Templat-vermittelte Synthese zyklischer Peptide an programmierten Coiled-Coil-Gerüsten
(2022-12-12)In recent years, macrocyclic peptides have experienced a renaissance in research. Due to their restricted conformation, they have a high substrate specificity and, relative to their size, a large surface area. This is ...