Electron spin resonance spectra of nitroxyl radicals

E. Botek, N. Zarycz, B. Champagne, V. Sciannaméa, C. Detrembleur

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Abstract

Hyperfine coupling constants (HFCCs) of nitroxyl radicals were calculated using density functional theory (DFT) 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 HFCCs to experimental data for a set of acyclic and cyclic alkylnitroxyl radicals. In a second step this tested approach was applied to support experimental evidence of several nitroxide-mediated polymerization (NMP) reactions.
Original languageEnglish
Pages (from-to)841-843
Number of pages3
JournalAIP Conference Proceedings
Volume1504
DOIs
Publication statusPublished - 1 Jan 2012

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electron paramagnetic resonance
polymerization
density functional theory

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Botek, E. ; Zarycz, N. ; Champagne, B. ; Sciannaméa, V. ; Detrembleur, C. / Electron spin resonance spectra of nitroxyl radicals. In: AIP Conference Proceedings. 2012 ; Vol. 1504. pp. 841-843.
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Electron spin resonance spectra of nitroxyl radicals. / Botek, E.; Zarycz, N.; Champagne, B.; Sciannaméa, V.; Detrembleur, C.

In: AIP Conference Proceedings, Vol. 1504, 01.01.2012, p. 841-843.

Research output: Contribution to journalArticle

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