Related Experiment Video
Updated: Aug 30, 2026

Using Cyclic Voltammetry, UV-Vis-NIR, and EPR Spectroelectrochemistry to Analyze Organic Compounds
Published on: October 18, 2018
Theoretical study of the internal conversion of sulfoxide precursors of poly-isothianaphthene and related polymers
Luc Claes1, Jean-Pierre François, Michael S Deleuze
1Limburgs Universitair Centrum, Departement SBG, Universitaire Campus, B-3590 Diepenbeek, Belgium.
Abstract:
In the present contribution, we theoretically investigate the suitability of the sulfoxide route for the synthesis of conjugated polymers of relevance for the fabrication of low-band gap materials with improved characteristics. The study focuses specifically on the internal elimination (E(i)) reactions of sulfoxide precursors of model oligomers of trans- and cis-poly-isothianaphtene (PITN), trans-poly-isothianaphtene vinylene (PITNV), and trans-poly-(ethylene dioxythiophene vinylene) (PEDOTV). These reactions have been characterized in detail by means of Density Functional Theory, along with the MPW1K functional (Modified Perdew-Wang 1-parameter model for kinetics).
Related Concept Videos
Preparation and Reactions of Sulfides
Thermal and Photochemical Electrocyclic Reactions: Overview
Photochemical Electrocyclic Reactions: Stereochemistry
Selection Rules: Photochemical Activation
Preparation and Reactions of Thiols
Thermal Electrocyclic Reactions: Stereochemistry
Selection Rules: Thermal Activation
Conjugated systems containing an even number of π-electron pairs undergo a conrotatory ring closure. For example, thermal electrocyclization of (2E,4E)-2,4-hexadiene, a conjugated diene containing two π-electron pairs, gives trans-3,4-dimethylcyclobutene.
Olefin Metathesis Polymerization: Overview
Ruthenium-based Grubbs catalyst is the most commonly used catalyst for olefin metathesis polymerization. Grubbs catalyst consists of a...
