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Abstract
A Pd (II)-catalyzed direct C3-(sp2)-H alkenylation of heteroarenes using benzothiazole as a directing group has been successfully achieved. A wide range of 2-N-alkylpyrroles undergo an oxidative coupling with a variety of acrylates to furnish highly regio- and chemo-selective E-alkenylation products at C3 position. An important intermediate complex has been isolated and characterized so as to have an insight into the mechanism. This convenient protocol proved to practical to access novel thermally activated delayed fluorescence materials (TADF). These molecules proved to be blue emitting TADF materials (~ms life time). A detailed and systematic investigation has been carried out to study the photophysical properties and this has been further validated by the time dependent (TD) density functional theory (DFT) calculations.
Supplementary materials
Title
Palladium Catalyzed C3-(sp2)-H Alkenylation of Pyrroles: A Direct Access to Novel Organic Thermally Activated Delayed Fluorescence (TADF) Materials
Description
The supoorting information gives a detailed experimental procedure, analytical data, copies of proton, carbon NMR spectra, single crystal X-ray data etc. Photophysical measurement data and TD-DFT calculations.
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