Browsing Fakultät für Chemie (inkl. GAUSS) by Issue Date
Now showing items 21-40 of 674
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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 ... -
Investigation of Intermolecular Ketone-Alcohol Balances via FTIR Spectroscopy
(2022-11-24)Asymmetrically substituted carbonyl groups are predestinated to form two distinguishable hydrogen bridged complexes between the free electron pairs of the carbonyl oxygens and hydrogen bond donors like alcohols. These ... -
Detection of Monoamine Mediated Immune Cell Communication by Nanosensors
(2022-11-11)The immune system comprises many organs, organ systems, cell types and secretory components that together form an intricate host defense network encompassing physical, biological and chemical barriers. Secretory components ... -
Probing SNARE-Induced Membrane Fusion Using Peptidic Model Fusogens
(2022-11-10)In this thesis, SNARE analogues with artificial recognition units made of either coiled-coil sequences or peptide nucleic acid (PNA) oligomers were synthesized. By applying FRET-based liposome fusion assays, the fusogenic ... -
Tuning the donor properties of bipyridyl-substituted phosphines by metal ion encapsulation & Photocatalytic synthesis of 6H-benzo[c]chromenes from S-aryl sulfonium salts
(2022-11-09)This work is divided into two parts. The first part introduces a novel approach for the synthesis of cationic phosphine ligands by metal ion encapsulation. In this context, multidentate heterophosphines encapsulate a ... -
Synthesis and Magnetic Properties of Polyimidosulfur- and Bis(benzoxazolyl)methanide-ligated Complexes
(2022-09-30)The properties of magnetic molecules are promising centerpieces in various fields of research directed toward novel technologies, ranging from quantum computing, high-density data storage systems, and medical imaging ... -
Development of a Generally Applicable Machine Learning Potential with Accurate Long-Range Electrostatic Interactions
(2022-08-16)Machine learning potentials (MLPs) have become an indispensable tool for large-scale atomistic simulations, due to their accuracy comparable with ab-initio methods at considerably reduced computational cost. The development ... -
Computational Description of Chemical Bond Formation Using Neural-Network Potentials: H-Atom Scattering from Graphene
(2022-08-01)When a hydrogen or a deuterium atom is interacting with a graphene surface during scattering events, its energy loss determines if the projectile will be adsorbed or scattered. The energy loss highly depends on the initial ... -
Epithelial Cells under Mechanical Strain: an Investigation
(2022-06-29)Cells are the minimal living unit of the body. Each cell plays a vital role that must withstand various stresses, from chemical environments to mechanical strain and temperature variations. One of these vital cell types ... -
Ramanspektroskopische Untersuchung der Esterfaltung in Überschallexpansionen, Oder: Wie man bei der Suche nach der Haarnadel im Esterhaufen fünf auf einmal findet
(2022-06-29)The conformational preference of linear alkyl chains with an ester group in the center was investigated using Raman spectroscopy in supersonic expansions. Like alkanes, short esters prefer a stretched conformation, but ... -
C–H Activation via Iridium and Rhodium Electrocatalysis and Undirected Electrochemical Fluorination
(2022-06-24)In past decades, transition metal-catalyzed C–H activation has emerged as an increasingly viable toolbox for the step- and atom economic formation of C–C and C–Het bonds. However, oxidative C–H transformations heavily rely ... -
Dicationic Chelating Phosphines – Synthesis, Structure And Reactivity Towards Dienes
(2022-06-17)A new family of bidentate dicationic phosphine ligands incorporating an additional electron donating group was designed and synthesized. Obtained ligands were characterized using spectroscopical methods and single crystal ... -
Towards a total synthesis of bazzanin K
(2022-05-31)Bazzanin K is a natural product from the group of macrocyclic bis-bibenzyls which was isolated from the liverwort bazzania trilobata. This work is dedicated towards the development of a synthetic strategy with bazzanin K ... -
Detecting the Undetectable: Functional Protein Motions in the Hidden Timescale Window Revealed by NMR Relaxation Measurements
(2022-05-19)About 50 years ago, even before NMR was ready to determine structure of proteins, it could unveil a surprising motion in aromatic side-chain (Wuthrich & Wagner, 1975) from 1D 1H spectra. With decades of development, NMR ... -
Precise Nanoengineering of Polymer Functionalized Nanomaterials with Silica as Coating and Templating Tools
(2022-05-10)The construction of a well-defined hybrid nanostructure becomes possible if functional polymer meets inorganic nanomaterials in a well-designed way. To fully control the structure of the nanohybrid and create the synergy ... -
Electrochemical Dinitrogen Splitting and Nitride Transfer to Nitric Oxide with Rhenium Pincer Complexes
(2022-04-26)The Haber-Bosch process for the synthesis of ammonia from nitrogen and hydrogen consumes large amounts of energy and additionally relies on fossil feedstocks for the production of hydrogen. Alternative approaches for the ... -
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 ... -
On the dynamics of H atom scattering from metal surfaces
(2022-04-26)When a hydrogen atom collides with a surface it may either scatter or stick to the surface, depending on the energy loss the particle experiences during collision. It is established that non-adiabatic effects in form of ...