Infrared Laser control of molecular reaction dynamics in the electronic ground state. Theory and experiment

• Applicants: Professor Dr. Karsten Heyne; Professor Dr. Oliver Kühn
• Subject Area: Physical Chemistry of Molecules, Liquids and Interfaces, Biophysical Chemistry ; Analytical Chemistry ; Experimental Condensed Matter Physics
• Term: from 2010 to 2022
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 169703910

In this project, we investigate the IR laser pulse driven chemical reaction via specific excited vibrations in the electronic ground state, connected directly or via energy relaxation pathways to the reaction coordinate of the reaction between two reactants. We will excite systematically different vibrations above and below the activation energy and track the transient dynamics in real-time using ultrafast IR spectroscopy. The dynamics and product formation upon IR excitation provide essential information on the reaction coordinate related to the chemical reaction and the reaction pathway. We concentrate on the alcoholysis reaction between alcohol and isocyanate reactants yielding urethane and polyurethane products. We will consolidate our recent results on IR pulse driven urethane formation and investigate the impact of isotopic labelling and altered vibrational excitation energies on the outcome of alcoholysis. Our studies will provide fundamental insight into the reaction pathway of an otherwise thermally driven reactions in the electronic ground state. This opens the possibility for an IR laser guided nanopolymerization capable for creating complex structures.

• DFG Programme: Research Grants
• Major Instrumentation: FTIR Mikroskop
• Instrumentation Group: 1830 Fourier-Transform-IR-Spektrometer