Intramolecular excimer formation in hexakis(pyrenyloxy)cyclotriphosphazene: photophysical properties, crystal structure, and theoretical investigation

Yesilot S., Cosut B., Alidagi H. A. , Hacivelioglu F., Ozpinar G. , Kilic A.

DALTON TRANSACTIONS, vol.43, no.9, pp.3428-3433, 2014 (Journal Indexed in SCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 43 Issue: 9
  • Publication Date: 2014
  • Doi Number: 10.1039/c3dt52957f
  • Title of Journal : DALTON TRANSACTIONS
  • Page Numbers: pp.3428-3433


A hexakis(pyrenyloxy) cyclotriphosphazene is synthesized by the reaction of N3P3Cl6 with 2-hydroxypyrene, and its excimer emission through intramolecular interactions in solution and in the solid state has been investigated by fluorescence spectroscopy and X-ray crystallography. Thermal and electrochemical properties were investigated. A DFT benchmark study has been performed to evaluate the intramolecular interactions and molecular orbital levels by comparing with the experimental results.