Browsing Fakultät für Chemie (inkl. GAUSS) by Advisor & Referee "Koszinowski, Konrad Prof. Dr."
Now showing items 1-20 of 74
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A robust, automated nudged elastic band method in internal coordinates
(2025-12-18)In this work, a robust and reliable implementation of the Nudged Elastic Band (NEB) method is developed and tested. It is a method for finding reaction paths and TS, which can be used to theoretically compute reaction ... -
Selectivity Control in Ruthenium- and Cobalt-Catalysed C–H Activation of Pharmaceuticals
(2025-12-17)The construction of C–C bonds is of great significance because C–C bonds are the fundamental linkages and the backbones of pharmaceuticals, agrochemicals, natural products and various materials. Consequently, the chemistry ... -
β-Hydrogen Eliminations from Organoaluminates and -Cuprates in the Gas Phase
(2025-12-10)The β-hydride elimination is a fundamental process in many organometallic reaction mechanisms and decomposition pathways. This thesis investigates the β-hydride elimination of alkyl organoaluminates and alkyl organocuprates ... -
Bis(amidophenolate)-supported Pnictogen Complexes: Redox Activity, Cooperativity and Electromerism
(2025-11-26)This thesis describes the synthesis, characterization and reactivity of pnictogen compounds derived from the tetradentate, redox-active bis(amidophenolate) ligand, N,N′-bis(3,5-di-tert-butyl-2-phenoxy)-1,2-phenylenediamide. ... -
Site-Selective C–H Activation for Small Molecules and π-Conjugated Polymers
(2025-11-19)The selective installation of organic fragments onto aromatic scaffolds remains a central challenge in organic synthesis. Due to growing concerns over resource depletion and environmental impact, chemists are increasingly ... -
Enantioselective C–H Activations via Cobalt-/Nickel- Electrocatalysis and Iron-Catalyzed C–H Alkylations
(2025-11-12)During the past decade, catalytic C–H activation strategies with transition metal catalysts have been established. However, achieving more sustainable enantioselective transformations with cost-effective base metal catalysts ... -
Reductive Elimination in Transition Metal Complexes: Selectivity and Trends across the d-Block
(2025-08-22)Transition metal-catalyzed cross-coupling chemistry requires more insights into the details of diverse and complex reaction mechanisms of different metals and the factors influencing them. This thesis aimed to investigate ... -
Total Syntheses of natural products derived from the liverwort using pi-acidic catalysts
(2025-07-31)Over the years, many natural products and chemical structures derived from plants, animals, microorganisms and marine organisms have been used as an inspiration for the synthesis of small molecules. The knowledge of using ... -
Computational and Mass-Spectrometric Investigation of the Structure and Reactivity of Coinage-Metal Ate Complexes and Thermometer Ions
(2025-07-28)Over the past decades, the combination of electrospray ionization (ESI), multi-stage mass spectrometry (MS^n) and computational methods has proven to be a powerful tool for fundamental studies on organometallic chemistry. ... -
N-Heterocyclic Electroauxiliaries for the Generation of Alkyl Radicals via C−C Bond Cleavage
(2025-07-17)Alkyl radical precursors are essential for a wide variety of photocatalytic and 3d-metal-catalyzed C–C bond forming reactions. In the last decade, neutral organic heterocycles as electroauxiliaries have become reliable ... -
Investigation of Nuclear Hyperfine Coupling in H2 Heterodimers Using Rotational Spectroscopy
(2025-05-20)Rotational spectroscopy of gas phase compounds is a powerful technique for structure determination through the unique moments of inertia of a molecular system. It is sensitive angular momentum coupling; therefore, complicated ... -
Enantioselective Electrochemical C–H Activation with Cobalt, Nickel, and Iron
(2025-04-04)The enantioselective functionalization of otherwise inert C–H bonds to assemble chiral molecules has become an increasingly powerful tool in molecular synthesis. In spite of significant advances in this domain, the ... -
Investigation of Framework-forming Aggregation of Peptide Helices on Membrane Surfaces
(2025-02-14)This study presents the development and investigation of peptide-based systems designed to induce controlled aggregation on membrane surfaces, potentially facilitating cell signaling by promoting lipid raft formation. The ... -
Identification and Characterization of Intermediates in Transmetalation Reactions from Boron to Lithium and Copper
(2025-02-14)Transmetalation is a crucial elementary step in cross-coupling reactions. In this context, boron nucleophiles are especially popular and versatile, however, the fundamental details of transmetalation reactions involving ... -
Enantioselective Synthesis and Postsynthetic Functionalization of Thiahelicenes and their Oxa-analogues
(2025-01-30)Based on the Alcarazo group’s experience in enantioselective Au(I)-catalyzed synthesis of (hetero)helicenes employing alkyne hydroaryration reactions, the gold precatalyst 188c, combining a chiral BINOL-derived backbone ... -
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 ... -
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 ... -
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 ... -
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 ...