Toward the Rational Design of Organic Catalysts for Organocatalysed Atom Transfer Radical Polymerisation.

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Title: Toward the Rational Design of Organic Catalysts for Organocatalysed Atom Transfer Radical Polymerisation.
Authors: Wang, Zhilei1 (AUTHOR) 201920282@mail.sdu.edu.cn, Wu, Chenyu1 (AUTHOR) w@sdu.edu.cn, Liu, Wenjian1 (AUTHOR) w@sdu.edu.cn
Source: Polymers (20734360). Feb2024, Vol. 16 Issue 3, p323. 20p.
Subjects: Radicals (Chemistry), Personal computer performance, Catalysts, Molecular weights, Polymerization, Reduction potential
Abstract: Thanks to their diversity, organic photocatalysts (PCs) have been widely used in manufacturing polymeric products with well-defined molecular weights, block sequences, and architectures. Still, however, more universal property-performance relationships are needed to enable the rational design of such PCs. That is, a set of unique descriptors ought to be identified to represent key properties of the PCs relevant for polymerisation. Previously, the redox potentials of excited PCs (PC*) were used as a good descriptor for characterising very structurally similar PCs. However, it fails to elucidate PCs with diverse chromophore cores and ligands, among which those used for polymerisation are a good representative. As showcased by model systems of organocatalysed atom transfer radical polymerisation (O-ATRP), new universal descriptors accounting for additional factors, such as the binding and density overlap between the PC* and initiator, are proposed and proved to be successful in elucidating the experimental performances of PCs in polymerisation. While O-ATRP is exemplified here, the approach adopted is general for studying other photocatalytic systems. [ABSTRACT FROM AUTHOR]
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Abstract:Thanks to their diversity, organic photocatalysts (PCs) have been widely used in manufacturing polymeric products with well-defined molecular weights, block sequences, and architectures. Still, however, more universal property-performance relationships are needed to enable the rational design of such PCs. That is, a set of unique descriptors ought to be identified to represent key properties of the PCs relevant for polymerisation. Previously, the redox potentials of excited PCs (PC*) were used as a good descriptor for characterising very structurally similar PCs. However, it fails to elucidate PCs with diverse chromophore cores and ligands, among which those used for polymerisation are a good representative. As showcased by model systems of organocatalysed atom transfer radical polymerisation (O-ATRP), new universal descriptors accounting for additional factors, such as the binding and density overlap between the PC* and initiator, are proposed and proved to be successful in elucidating the experimental performances of PCs in polymerisation. While O-ATRP is exemplified here, the approach adopted is general for studying other photocatalytic systems. [ABSTRACT FROM AUTHOR]
ISSN:20734360
DOI:10.3390/polym16030323