Dokumente Fakultät für Chemie (inkl. GAUSS) nach Erscheinungsdatum
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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 ... -
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 ... -
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 ... -
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 ... -
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. ... -
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 ... -
Vibrational dynamics of formic acid and its dimer: FTIR and Raman jet spectroscopy and theory
(2022-12-07)The vibrational spectroscopy of formic acid and its dimer (including deuterated isotopologues) is investigated using Raman and FTIR jet spectroscopy. The vibrational spectroscopic record of monomeric formic acid is reviewed, ... -
Bioinspired Dinuclear Copper Complexes for Oxygen Activation
(2022-12-06)This thesis explores new bioinspired bimetallic copper complexes for the activation of dioxygen. Therefore, two novel TACN/pyrazolate ligand scaffolds with reduced steric hindrance were introduced and successfully established. ... -
Aggregations- und Evaporationsdynamik von Clustern und Aerosolpartikeln im H<sub>2</sub>SO<sub>4</sub>-H<sub>2</sub>O-System
(2022-11-28)Sulfuric acid and water are two key compounds in the formation of atmospheric aerosols and are therefore relevant in the context of climate research. In this work, a modified experimental setup is presented, using the ...