Related Experiment Video
Updated: Oct 17, 2025

Isolating Free Carbenes, their Mixed Dimers and Organic Radicals
Published on: April 19, 2019
DFT study on Ir-quinoid catalyzed C-H functionalization: new radical reactivity or direct carbene transfer?
1Department of Organic Chemistry, Indian Institute of Science, Bangalore, Karnataka-560012, India. gjindal@iisc.ac.in.
Abstract:
DFT methods are used to probe the mechanism of a newly developed Ir-quinoid catalyzed C(sp3)-H functionalization of 1,4 dienes. The lowest energy pathway proceeds via an old-school concerted C-H insertion as opposed to a unique hydrogen atom transfer process proposed previously. The concertedness of the reaction shows an intriguing dependence on sterics of the diene leading to either inserted or dehydrogenated products. We use these new insights to tune the axial ligand, and design a more efficient catalyst.
More Related Videos
06:34Synthesis of Antiviral Tetrahydrocarbazole Derivatives by Photochemical and Acid-catalyzed C-H Functionalization via Intermediate Peroxides CHIPS
Published on: June 20, 2014
12:27Synthesis of Hypervalent Iodonium Alkynyl Triflates for the Application of Generating Cyanocarbenes
Published on: September 8, 2013
Related Concept Videos
Radical Reactivity: Intramolecular vs Intermolecular
Radical Reactivity: Overview
Radical Reactivity: Concentration Effects
Radical Reactivity: Nucleophilic Radicals
Radical Reactivity: Steric Effects
Along with electronic...
Electrophilic 1,2- and 1,4-Addition of X2 to 1,3-Butadiene