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.
Settore CHIM/07 - Fondamenti Chimici Delle Tecnologie
http://pubs.rsc.org/en/journals/journal/ce
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].
File in questo prodotto:
File Dimensione Formato  
C9CE00444K(1).pdf

Open Access dal 16/04/2020

Tipologia: Post-print
Dimensione 4.55 MB
Formato Adobe PDF
4.55 MB Adobe PDF Visualizza/Apri

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10447/398736
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 7
  • ???jsp.display-item.citation.isi??? 6
social impact