Computer simulation of the anisotropy of fluorescence in ring molecular systems

Abstract

The time dependence of the anisotropy of fluorescence after an impulsive excitation in the molecular ring (resembling the B850 ring of the purple bacterium Rhodopseudomonas acidophila) is calculated. Fast fluctuations of the environment are simulated by dynamic disorder and slow fluctuations by static disorder. Without dynamic disorder modest degrees of static disorder are sufficient to cause the experimentally found initial drop of the anisotropy on a sub-100 fs time scale. In the present investigation we are comparing results for the time-dependent optical anisotropy of the molecular ring for four models of the static disorder: Gaussian disorder in the local energies (Model A), Gaussian disorder in the transfer integrals (Model B), Gaussian disorder in radial positions of molecules (Model C) and Gaussian disorder in angular positions of molecules (Model D). Both types of disorder - static and dynamic - are taken into account simultaneously. © Springer-Verlag Berlin Heidelberg 2005.