%0 Journal Article %1 B712155E %A Seibt, Joachim %A Lohr, Andreas %A Wurthner, Frank %A Engel, Volker %D 2007 %I The Royal Society of Chemistry %J Phys. Chem. Chem. Phys. %K ak-engel %N 47 %P 6214-6218 %R 10.1039/B712155E %T Circular dichroism and absorption spectroscopy of merocyanine dimer aggregates: molecular properties and exciton transfer dynamics from time-dependent quantum calculations %U http://dx.doi.org/10.1039/B712155E %V 9 %X A wave packet approach to the calculation and interpretation of circular dichroism (CD) spectra is applied to the spectroscopy of aggregates of a merocyanine dye. A combined analysis of absorption and CD spectra allows for the extraction of geometric information and excited state electronic coupling. It is shown that in the case of dimer aggregates of a chiral merocyanine dye, it is possible to infer the dynamics of an exciton transfer directly from the CD spectrum. This relation is established via the Fourier relation to a time-dependent correlation function reflecting the quantum dynamics in the dye aggregate.

@article{B712155E, abstract = {A wave packet approach to the calculation and interpretation of circular dichroism (CD) spectra is applied to the spectroscopy of aggregates of a merocyanine dye. A combined analysis of absorption and CD spectra allows for the extraction of geometric information and excited state electronic coupling. It is shown that in the case of dimer aggregates of a chiral merocyanine dye{,} it is possible to infer the dynamics of an exciton transfer directly from the CD spectrum. This relation is established via the Fourier relation to a time-dependent correlation function reflecting the quantum dynamics in the dye aggregate.}, added-at = {2017-06-20T16:01:31.000+0200}, author = {Seibt, Joachim and Lohr, Andreas and Wurthner, Frank and Engel, Volker}, biburl = {https://www.bibsonomy.org/bibtex/2ac797797e017319df3a7de2aade6c871/ak-engel-uniwue}, description = {Circular dichroism and absorption spectroscopy of merocyanine dimer aggregates: molecular properties and exciton transfer dynamics from time-dependent quantum calculations - Physical Chemistry Chemical Physics (RSC Publishing)}, doi = {10.1039/B712155E}, interhash = {a492110e59a0f91126e986f433b6391c}, intrahash = {ac797797e017319df3a7de2aade6c871}, journal = {Phys. Chem. Chem. Phys.}, keywords = {ak-engel}, number = 47, pages = {6214-6218}, publisher = {The Royal Society of Chemistry}, timestamp = {2017-06-20T16:01:31.000+0200}, title = {Circular dichroism and absorption spectroscopy of merocyanine dimer aggregates: molecular properties and exciton transfer dynamics from time-dependent quantum calculations}, url = {http://dx.doi.org/10.1039/B712155E}, volume = 9, year = 2007 }