Red Phosphorescence from Benzo[2,1,3]thiadiazoles at Room Temperature

J Org Chem. 2016 Jun 3;81(11):4789-96. doi: 10.1021/acs.joc.6b00789. Epub 2016 May 23.

Abstract

We describe the red phosphorescence exhibited by a class of structurally simple benzo[2,1,3]thiadiazoles at room temperature. The photophysical properties of these molecules in deoxygenated cyclohexane, including their absorption spectra, steady-state photoluminescence and excitation spectra, and phosphorescence lifetimes, are presented. Time-dependent density functional theory calculations were carried out to better understand the electronic excited states of these benzo[2,1,3]thiadiazoles and why they are capable of phosphorescence.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Cyclohexanes / chemistry
  • Indicators and Reagents
  • Luminescent Measurements
  • Quantum Theory
  • Radiation
  • Temperature
  • Thiadiazoles / chemical synthesis
  • Thiadiazoles / chemistry*

Substances

  • Cyclohexanes
  • Indicators and Reagents
  • Thiadiazoles