ArticleACS omega2021
Density Functional Theory Guide for an Allyl Monomer Polymerization Mechanism: Photoinduced Radical-Mediated [3 + 2] Cyclization.
Article in ACS omega, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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3 citing papers in PubMed.
- A Kinetic Study of the Autoxidative Formation of VOCs, Including Formaldehyde, Acetaldehyde and Acrolein from Polyurethane Soft Foams.Polymers · 2026Article
- DFT studies of solvent effect in hydrogen abstraction reactions from different allyl-type monomers with benzoyl radical.BMC chemistry · 2023Article
- A comparison of hydrogen abstraction reaction between allyl-type monomers with thioxanthone-based photoinitiators without amine synergists.Frontiers in chemistry · 2022Article
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Authors and funding
7 authors.
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Abstract
Polymerization of allyl ether monomers has previously been considered a free-radical addition polymerization mechanism, but it is difficult to achieve because of the high electron density of their double bond. To interpret the mechanism of photopolymerization, we therefore proposed a radical-mediated cyclization (RMC) reaction, which has been validated by results from quantum chemistry calculations and real-time infrared observation. Our RMC reaction begins with the radical abstracting one allylic hydrogen atom from the methylene group of allyl ether to generate an allyl ether radical with a delocalized π
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