The Origin of Dual-Emission in PLICT Compounds - an Empirical Approach

Chemistry. 2024 Mar 25;30(18):e202304143. doi: 10.1002/chem.202304143. Epub 2024 Feb 5.

Abstract

Fluorescence spectroscopy proves to be a powerful and versatile tool in scientific research, demanding ongoing advancements of fluorescence probes to cater to a broad range of applications. The particular interest lies in the development of fluorophores with multiplexing capability, emitting from more than one excited state depending on the polarity and viscosity of the surrounding medium. Here, we present a variety of novel dual planarized intramolecular charge transfer (PLICT) emitters based on cyano-1-aminoindole structures. We have chosen a combination of experimental studies, theoretical calculations and the creation of a unique fluorophore cataloging map. This map serves as a useful tool for empirically determining the origin of both fluorescence bands.

Keywords: DFT calculations; PLICT states; excited states; fluorescence.