AIE/ACQ effects in two DR/NIR emitters: A structural and DFT comparative analysis

Ugo Caruso, Barbara Panunzi, Rosita Diana, Simona Concilio, Lucia Sessa, Rafi Shikler, Shiran Nabha, Angela Tuzi, Stefano Piotto

Research output: Contribution to journalArticlepeer-review

38 Scopus citations


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.

Original languageEnglish
Article number1947
Issue number8
StatePublished - 1 Jan 2018


  • DFT
  • DR/NIR emitter
  • PLQY

ASJC Scopus subject areas

  • Analytical Chemistry
  • Chemistry (miscellaneous)
  • Molecular Medicine
  • Pharmaceutical Science
  • Drug Discovery
  • Physical and Theoretical Chemistry
  • Organic Chemistry


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