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• W2061774947 endingPage "10442" @default.
• W2061774947 startingPage "10432" @default.
• W2061774947 abstract "Density functional theory (DFT) calculations have been performed to address the structure of nitroxide intermediates in controlled radical polymerization. In a preliminary step, the reliability of different theoretical methods has been substantiated by comparing calculated hyperfine coupling constants (HFCCs) to experimental data for a set of linear and cyclic alkylnitroxyl radicals. Considering this tested approach, the nature of different nitroxides has been predicted or confirmed for (a) the reaction of C-phenyl- N- tert-butylnitrone and AIBN, (b) N- tert-butyl-alpha-isopropylnitrone and benzoyl peroxide, (c) tert-butyl methacrylate polymerization in the presence of sodium nitrite as mediator, and (d) for the reaction of a nitroso compound with AIBN. Values of HFCC experimentally determined have been confirmed by DFT calculations." @default.
• W2061774947 created "2016-06-24" @default.
• W2061774947 creator A5000291702 @default.
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• W2061774947 creator A5034440812 @default.
• W2061774947 creator A5068217923 @default.
• W2061774947 creator A5072615464 @default.
• W2061774947 date "2008-08-01" @default.
• W2061774947 modified "2023-10-16" @default.
• W2061774947 title "Joint Theoretical Experimental Investigation of the Electron Spin Resonance Spectra of Nitroxyl Radicals: Application to Intermediates in <i>in Situ</i> Nitroxide Mediated Polymerization (<i>in Situ</i> NMP) of Vinyl Monomers" @default.
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• W2061774947 doi "https://doi.org/10.1021/jp803552x" @default.
• W2061774947 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/18680339" @default.
• W2061774947 hasPublicationYear "2008" @default.
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