Dresden 2011 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 28: Poster: Theory: Molecular Dynamics

MO 28.2: Poster

Donnerstag, 17. März 2011, 16:00–18:00, P1

Lineshapes of absorption- and circular dichroism spectra of molecular aggregates — •Klaus Renziehausen and Volker Engel — Institut für Physikalische und Theoretische Chemie, Universität Würzburg, Am Hubland, 97074 Würzburg

We perform time-dependent quantum calculations on the absorption and circular dichroism (CD) spectroscopy of molecular aggregates. The interplay between vibrational motion, geometry, electronic coupling and aggregate size to arrive at a certain lineshape is analyzed in detail. The numerical results are interpreted in terms of analytical considerations [1], and a comparison to experiment is given [2].

[1] F.C. Spano, J. Chem. Phys, 122, 234701 (2005). [2] Z. Chen et al., Chem. Eur. J. 13, 436 (2007).