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Aggregation-induced emission leading to two distinct emissive species in the solid-state structure of high-dipole organic chromophores

Witte, Felix and Rietsch, Philipp and Nirmalananthan-Budau, Nithiya and Weigert, Florian and Götze, Jan P. and Resch-Genger, Ute and Eigler, Siegfried and Paulus, Beate – 2021

The concept of aggregation-induced emission represents a means to rationalise photoluminescence of usually nonfluorescent excimers in solid-state materials. In this publication, we study the photophysical properties of selected diaminodicyanoquinone (DADQ) derivatives in the solid state using a combined approach of experiment and theory. DADQs are a class of high-dipole organic chromophores promising for applications in non-linear optics and light-harvesting devices. Among the compounds investigated, we find both aggregation-induced emission and aggregation-caused quenching effects rationalised by calculated energy transfer rates. Analysis of fluorescence spectra and lifetime measurements provide the curious result that (at least) two emissive species seem to contribute to the photophysical properties of DADQs. The main emission peak is notably broadened in the long-wavelength limit and exhibits a blue-shifted shoulder. We employ high-level quantum-chemical methods to validate a molecular approach to a solid-state problem and show that the complex emission features of DADQs can be attributed to a combination of H-type aggregates, monomers, and crystal structure defects.

Title
Aggregation-induced emission leading to two distinct emissive species in the solid-state structure of high-dipole organic chromophores
Author
Witte, Felix and Rietsch, Philipp and Nirmalananthan-Budau, Nithiya and Weigert, Florian and Götze, Jan P. and Resch-Genger, Ute and Eigler, Siegfried and Paulus, Beate
Date
2021
Identifier
DOI: 10.1039/D1CP02534A
Source(s)
Citation
Phys. Chem. Chem. Phys. 2021, Accepted Manuscript.