AIE/ACQ Effects in Two DR/NIR Emitters: A Structural and DFT Comparative Analysis

Molecules. 2018 Aug 4;23(8):1947. doi: 10.3390/molecules23081947.


The effects of aggregation-induced emission (AIE) and of aggregation caused quenching (ACQ) were observed and discussed on two solid materials based on a phenylenevinylene (PV) and a dicyano-PV structure. The brightest emitter in solid films shows a high fluorescence quantum yield in the deep red/near IR (DR/NIR) region (75%). The spectroscopic properties of the two crystalline solids have been described and compared in terms of crystallographic data and time dependent DFT analysis. The influence of the cyano-substituents on AIE/ACQ mechanism activation was discussed.

Keywords: AIE/ACQ; DFT; DR/NIR emitter; PLQY.

MeSH terms

  • Crystallography
  • Fluorescence*
  • Polyvinyls / chemistry*


  • Polyvinyls