Article (Scientific journals)
Joint theoretical experimental investigation of the electron spin resonance spectra of nitroxyl radicals: application to intermediates in in situ nitroxide mediated polymerization (in situ NMP) of vinyl monomers
Zarycz, Natalia; Botek, Edith; Champagne, Benoit et al.
2008In Journal of Physical Chemistry B, 112 (34), p. 10432-10442
Peer Reviewed verified by ORBi
 

Files


Full Text
Zarycz N 2008 J Phys Chem B 10432.pdf
Publisher postprint (715.71 kB)
Request a copy

All documents in ORBi are protected by a user license.

Send to



Details



Keywords :
radical polymerization; nitroxide-mediated polymerization (NMP); electron spin resonance spectroscopy (ESR)
Abstract :
[en] 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-α-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.
Research center :
Center for Education and Research on Macromolecules (CERM)
Disciplines :
Materials science & engineering
Chemistry
Author, co-author :
Zarycz, Natalia;  University of Namur (FUNDP) and Universidad Nacional del Nordeste, Corrientes, Argentina > Departamento de Física, (Argentina) > Laboratoire de Chimie Théorique Appliquée (Belgium)
Botek, Edith;  University of Namur (FUNDP) > Laboratoire de Chimie Théorique Appliquée
Champagne, Benoit;  University of Namur (FUNDP) > Laboratoire de Chimie Théorique Appliquée
Sciannaméa, Valérie;  Université de Liège - ULiège > Department of Chemistry > Center for Education and Research on Macromolecules (CERM)
Jérôme, Christine  ;  Université de Liège - ULiège > Department of Chemistry > Center for Education and Research on Macromolecules (CERM)
Detrembleur, Christophe ;  Université de Liège - ULiège > Centre d'études et de rech. sur les macromolécules (CERM)
Language :
English
Title :
Joint theoretical experimental investigation of the electron spin resonance spectra of nitroxyl radicals: application to intermediates in in situ nitroxide mediated polymerization (in situ NMP) of vinyl monomers
Publication date :
28 August 2008
Journal title :
Journal of Physical Chemistry B
ISSN :
1520-6106
eISSN :
1520-5207
Publisher :
American Chemical Society, Washington, United States - District of Columbia
Volume :
112
Issue :
34
Pages :
10432-10442
Peer reviewed :
Peer Reviewed verified by ORBi
Funders :
BELSPO - SPP Politique scientifique - Service Public Fédéral de Programmation Politique scientifique
F.R.S.-FNRS - Fonds de la Recherche Scientifique [BE]
CONICET - Consejo Nacional de Investigaciones Científicas y Técnicas [AR]
Available on ORBi :
since 14 July 2010

Statistics


Number of views
71 (4 by ULiège)
Number of downloads
1 (1 by ULiège)

Scopus citations®
 
10
Scopus citations®
without self-citations
7
OpenCitations
 
9

Bibliography


Similar publications



Contact ORBi