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Structure and excitonic coupling in self-assembled monolayers of azobenzene-functionalized alkanethiols

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McNellis,  Erik R.
Theory, Fritz Haber Institute, Max Planck Society;

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Reuter,  Karsten
Theory, Fritz Haber Institute, Max Planck Society;

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Citation

Gahl, C., Schmidt, R., Brete, D., McNellis, E. R., Freyer, W., Carley, R., et al. (2010). Structure and excitonic coupling in self-assembled monolayers of azobenzene-functionalized alkanethiols. Journal of the American Chemical Society, 132(6), 1831-1838. Retrieved from http://www.fhi-berlin.mpg.de/th/th.html.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0010-F685-E
Abstract
Optical properties and the geometric structure of self-assembled monolayers of azobenzene-functionalized alkanethiols have been investigated by UV/visible and near edge X-ray absorption fine structure spectroscopy in combination with density-functional theory. By attaching a trifluoro-methyl end group to the chromophore both the molecular tilt and twist angle of the azobenzene moiety are accessible. Based on this detailed structural analysis the energetic shifts observed in optical reflection spectroscopy can be qualitatively described within an extended dipole model. This substantiates sizable excitonic coupling among the azobenzene chromophores as an important mechanism that hinders trans to cis isomerization in densely packed self-assembled monolayers.