Redox-responsive Alignment Media for the de novo structure elucidation of organic compounds via NMR Spectroscopy

• Applicant: Professorin Dr. Christina Marie Thiele
• Subject Area: Analytical Chemistry ; Organic Molecular Chemistry - Synthesis and Characterisation
• Term: since 2023
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 531559787

In this project, a redox-responsive alignment medium shall be established for application in the structure elucidation of organic compounds via NMR spectroscopy. A polypeptide-based polymer with ferrocene groups in the side chains will be used as alignment medium. By chemical oxidation of this polypeptide, multiple data sets of residual dipolar couplings of a model analyte shall be obtained and their suitability for modern methods of de novo structure elucidation will be assessed. The oxidation to ferrocenium ions will first be done chemically and later electrically. The orientational properties and the control of the ferrocene to ferrocenium ratio are of particular interest for the application as an alignment medium. The characterization of the oxidation state and the resulting polymer conformation will be done via various spectroscopic methods (NMR, UV/Vis, Mößbauer, CD).

• DFG Programme: Research Grants