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Third-party-funded project

Graduiertenkolleg "Modification of the Electron Density in Chemical and Bioligical Systems - a Symbiosis beween Theory and Experiment for Postgraduate Education"

Project management at the University of Würzburg:

Participating scientists:

Adiabatic and non-adiabatic electron transfer processes have been experimentally and theoretically investigated in the frequency- as well as in the time-domain. Valuable information about the geometry of the charge-transfer state can be obtained by means of resonance Raman spectroscopy. Therefore various intervalence charge transfer radical cations which were synthesized in the project of Prof. Lambert, were investigated by means of resonance Raman spectroscopy. Additionally DFT calculations have been performed to determine the structure and the vibrational motions of these systems. In collaboration with the project of Prof. Engel the resonance Raman excitation profiles have been calculated. This allows the determination of important parameters of the inter-valence-charge-transfer-state. Electron transfer processes as well as other non-adiabatic processes have been also investigated by means of femtosecond time-resolved spectroscopy. The efficiency of these processes strongly depends on the coupling strength between electronic and nuclear degrees of freedom. One major goal of these investigations was the testing of several four-wave-mixing processes towards their capability to interrogate these dynamics. It could be shown that the transient grating and the pump-CARS-(coherent anti Stokes Raman spectroscopy)-technique are especially suited to ivestigate the couplng between nuclear and electronic degrees of freedom.

Key words:
    Non-adiabatic dynamics
    Electron transfer processes
    Resonance Raman spectroscopy
    Femtosecond time-resolved spectroscopy

Projekt period: from 09.2001 to 12.2002

Funding institution:
DFG ( Graduiertenkolleg )