Related Experiment Video
Updated: May 27, 2026

Isolating Free Carbenes, their Mixed Dimers and Organic Radicals
Published on: April 19, 2019
Thermal decomposition of pentacene oxyradicals
Xiaoqing You1, Dmitry Yu Zubarev, William A Lester
1Department of Mechanical Engineering, University of California, Berkeley, 94720-1740, United States.
Abstract:
The energetics and kinetics of the thermal decomposition of pentacene oxyradicals were studied using a combination of ab initio electronic structure theory and energy-transfer master equation modeling. The rate coefficients of pentacene oxyradical decomposition were computed for the range of 1500-2500 K and 0.01-10 atm and found to be both temperature and pressure dependent. The computational results reveal that oxyradicals with oxygen attached to the inner rings are kinetically more stable than those with oxygen attached to the outer rings. The latter decompose to produce CO at rates comparable to those of phenoxy radical, while CO is unlikely to be produced from oxyradicals with oxygen bonded to the inner rings.
More Related Videos
06:49Atom Transfer Radical Polymerization of Functionalized Vinyl Monomers Using Perylene as a Visible Light Photocatalyst
Published on: April 22, 2016
09:45Accessing Valuable Ligand Supports for Transition Metals: A Modified, Intermediate Scale Preparation of 1,2,3,4,5-Pentamethylcyclopentadiene
Published on: March 20, 2017
Related Concept Videos
Radical Reactivity: Overview
Radical Formation: Elimination
Free-Radical Chain Reaction and Polymerization of Alkenes
Thermal and Photochemical Electrocyclic Reactions: Overview
Radical Autoxidation
Mass Spectrometry: Branched Alkane Fragmentation