We describe in this paper a structure-property relationship study of aromatic thioethers with aggregation-induced emission (AIE) properties. We combine a structural analysis based on geometrical consideration with an in-depth analysis of the crystalline packing supported by quantum mechanical calculations. Our results allow us to correlate the enhanced fluorescence quantum yields with the significant increase of C-H⋯π and the decrease of π⋯π interactions in the solid state-a result which supports the well-accepted AIE mechanism quantitatively.
Saccone M., Riebe S., Stelzer J., Wolper C., Daniliuc C.G., Voskuhl J., et al. (2019). Structure-property relationships in aromatic thioethers featuring aggregation-induced emission: Solid-state structures and theoretical analysis. CRYSTENGCOMM, 21(19), 3097-3105 [10.1039/c9ce00444k].
Structure-property relationships in aromatic thioethers featuring aggregation-induced emission: Solid-state structures and theoretical analysis
Saccone M.Supervision
;
2019-01-01
Abstract
We describe in this paper a structure-property relationship study of aromatic thioethers with aggregation-induced emission (AIE) properties. We combine a structural analysis based on geometrical consideration with an in-depth analysis of the crystalline packing supported by quantum mechanical calculations. Our results allow us to correlate the enhanced fluorescence quantum yields with the significant increase of C-H⋯π and the decrease of π⋯π interactions in the solid state-a result which supports the well-accepted AIE mechanism quantitatively.
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