NDLI: Unraveling the structure and exciton coupling for multichromophoric merocyanine dye molecules

Content Provider	Royal Society of Chemistry (RSC)
Author	Stolte, Matthias Würthner, Frank Koch, Federico Zitzler-Kunkel, André Steinbacher, Andreas Brixner, Tobias Bialas, David
Copyright Year	2017
Abstract	The relative orientation of chromophores is a key factor in determining the relationship between the structure and the functionality in molecular multichromophore ensembles. In the case of structurally flexible molecular systems in solution, the task to clarify the relevant effects of accessible chromophore orientations with spectroscopic observations is very demanding. In this study, we address this issue by investigating a series of differently connected multichromophoric systems composed of highly dipolar merocyanine dyes that are systematically varied in their substitution pattern and the number of chromophores attached to a bridging benzene ring. Combining electro-optical absorption (EOA) and UV/Vis spectroscopy with density functional theory (DFT) as well as exciton theory discloses conformational preferences and rationalizes the optical properties of the interacting chromophores. Our findings suggest for all multichromophoric systems there is a relative orientation of the chromophores which compensates for the individual dipole moments of the merocyanine dyes by pointing preferably in opposing directions. These orientations furthermore rationalize the observed spectral properties by partly excitonically-coupled subunits.
Starting Page	6368
Ending Page	6378
Page Count	11
File Format	HTM / HTML PDF
ISSN	14639076
Volume Number	19
Issue Number	9
Journal	Physical Chemistry Chemical Physics
DOI	10.1039/c7cp00115k
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	Spectroscopy Exciton Merocyanine EOA Benzene Eoa Dipole Density functional theory Willem C. Vis Moot Chromophore
Content Type	Text
Resource Type	Article
Subject	Physics and Astronomy Physical and Theoretical Chemistry

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