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Research Abstracts Online
January 2008 - March 2009

University of Minnesota Twin Cities
Institute of Technology
Department of Chemistry

PI: David A. Blank, Associate Fellow

Charge Transfer Processes in Semiconducting Polymers and Solvation Dynamics Around Coumarin Molecules

These researchers employ density functional theory calculations to understand charge transfer processes in oligothiopenes with various end groups. The calculated molecular orbital topologies show that optical excitation corresponds to a displacement of the electron density towards the more electron withdrawing end groups. In addition, they are using finite field molecular dynamics (MD) simulations to understand the dynamics of the solvent after photoexcitation of the solute. The third-order Raman response obtained from MD simulations is in good agreement with the group’s experimental data measured by Resonant pump third order Raman probe spectroscopy, a technique that is able to measure solvent response.

Group Members

Matthew Ammend, Graduate Student
Jillian Harvalis, Undergraduate Student
Adam Huss, Graduate Student
Abbas Mulla, Undergraduate Student
Mayrose Salvador, Research Associate