One-dimensional J-aggregates: Dependence of the properties of the exciton band on the model of the intermolecular coupling |
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| Institution: | 1. Department of Chemistry, Faculty of Sciences, Atatürk University, 25240, Erzurum, Turkey;2. Recep Tayyip Erdo?an University, Faculty of Arts and Sciences, 53100 Rize, Turkey;1. Research Center of Nano Science and Technology, and School of Material Science and Engineering, Shanghai University, Shanghai 200444, China;2. State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China;1. Institute of Applied Chemistry, Riga Technical University, 3/7 Paul Walden Str., LV, 1048, Riga, Latvia;2. Institute of Solid State Physics, University of Latvia, 8 Kengaraga Str., LV, 1063, Riga, Latvia;1. German Cancer Research Center (DKFZ) and Bioquant, Research Group Genome Organization & Function, Heidelberg, Germany |
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| Abstract: | The spectral properties of one-dimensional thiacarbocyanine dye aggregates were simulated by the combination of exciton interaction with a diagonal energetic disorder. Contrary to previous models incorporating disorder, the exciton interaction was calculated using the transition densities obtained form PPP-wave functions and interactions between all molecules were considered. The effects of the aggregate size, non-nearest neighbor interactions, diagonal disorder and to some extent exciton phonon coupling on the spectral position of the maxima, the FWHM of the spectra and the superradiance are investigated for H- and J-aggregates at 298 and 20 K. At 298 K the experimental properties of H-aggregates and J-aggregates of 3,3′-disulfopropyl-5,5′-dichloro-carbocyanine with 1 molecule per unit cell are compared to the simulations. |
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