e-Caprolactone / ZnCl2 complex formation: characterization and ring-opening polymerization mechanism

Autores
Abraham, Gustavo Abel; Gallardo, Alberto; Lozano, Angel E.; San Roman, Julio
Año de publicación
2000
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
ε-Caprolactone (ε-CL) has been mixed with ZnCl2 at different mol ratios. The resulting complex was characterized through 1H and 13C NMR spectroscopy in bulk and in solutions, differential scanning calorimetry (DSC), wide-angle X-ray diffraction (WAXD), and optical microscopy. Ring-opening polymerization of ε-caprolactone [M] using ZnCl2 as an initiator [I] at different monomer/initiator ratios has been successfully performed in xylene. The molecular weight of poly(ε-caprolactone) (PCL) as measured by gel permeation chromatografy (GPC) was found to depend linearly on the [M]/[I] ratio. Theoretical calculations were carried out to understand the geometry of the complex and the operating ring-opening mechanism. Both experimental and computational results and the presence of methylene–chloride end group, confirmed by NMR, are in agreement with a coordination–insertion mechanism for the ring-opening polymerization proposed in this article.
Fil: Abraham, Gustavo Abel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Fil: Gallardo, Alberto. Instituto de Ciencia y Tecnologia de Polimeros; España
Fil: Lozano, Angel E.. Instituto de Ciencia y Tecnologia de Polimeros; España
Fil: San Roman, Julio. Instituto de Ciencia y Tecnologia de Polimeros; España
Materia
Ring-Opening Polymerization
Lactones
Zinc Chloride
Mechanism
Quantum-Mechanical Calculation
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/35733
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/35733
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling e-Caprolactone / ZnCl2 complex formation: characterization and ring-opening polymerization mechanismAbraham, Gustavo AbelGallardo, AlbertoLozano, Angel E.San Roman, JulioRing-Opening PolymerizationLactonesZinc ChlorideMechanismQuantum-Mechanical Calculationhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1https://purl.org/becyt/ford/2.5https://purl.org/becyt/ford/2ε-Caprolactone (ε-CL) has been mixed with ZnCl2 at different mol ratios. The resulting complex was characterized through 1H and 13C NMR spectroscopy in bulk and in solutions, differential scanning calorimetry (DSC), wide-angle X-ray diffraction (WAXD), and optical microscopy. Ring-opening polymerization of ε-caprolactone [M] using ZnCl2 as an initiator [I] at different monomer/initiator ratios has been successfully performed in xylene. The molecular weight of poly(ε-caprolactone) (PCL) as measured by gel permeation chromatografy (GPC) was found to depend linearly on the [M]/[I] ratio. Theoretical calculations were carried out to understand the geometry of the complex and the operating ring-opening mechanism. Both experimental and computational results and the presence of methylene–chloride end group, confirmed by NMR, are in agreement with a coordination–insertion mechanism for the ring-opening polymerization proposed in this article.Fil: Abraham, Gustavo Abel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; ArgentinaFil: Gallardo, Alberto. Instituto de Ciencia y Tecnologia de Polimeros; EspañaFil: Lozano, Angel E.. Instituto de Ciencia y Tecnologia de Polimeros; EspañaFil: San Roman, Julio. Instituto de Ciencia y Tecnologia de Polimeros; EspañaJohn Wiley & Sons Inc2000-03-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/35733Abraham, Gustavo Abel; Gallardo, Alberto; Lozano, Angel E.; San Roman, Julio; e-Caprolactone / ZnCl2 complex formation: characterization and ring-opening polymerization mechanism; John Wiley & Sons Inc; Journal of Polymer Science Part A: Polymer Chemistry; 38; 8; 9-3-2000; 1355-13650887-624XCONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/(SICI)1099-0518(20000415)38:8%3C1355::AID-POLA20%3E3.0.CO;2-Z/abstractinfo:eu-repo/semantics/altIdentifier/doi/10.1002/(SICI)1099-0518(20000415)38:8<1355::AID-POLA20>3.0.CO;2-Zinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:04:24Zoai:ri.conicet.gov.ar:11336/35733instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 10:04:24.983CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv e-Caprolactone / ZnCl2 complex formation: characterization and ring-opening polymerization mechanism
title e-Caprolactone / ZnCl2 complex formation: characterization and ring-opening polymerization mechanism
spellingShingle e-Caprolactone / ZnCl2 complex formation: characterization and ring-opening polymerization mechanism
Abraham, Gustavo Abel
Ring-Opening Polymerization
Lactones
Zinc Chloride
Mechanism
Quantum-Mechanical Calculation
title_short e-Caprolactone / ZnCl2 complex formation: characterization and ring-opening polymerization mechanism
title_full e-Caprolactone / ZnCl2 complex formation: characterization and ring-opening polymerization mechanism
title_fullStr e-Caprolactone / ZnCl2 complex formation: characterization and ring-opening polymerization mechanism
title_full_unstemmed e-Caprolactone / ZnCl2 complex formation: characterization and ring-opening polymerization mechanism
title_sort e-Caprolactone / ZnCl2 complex formation: characterization and ring-opening polymerization mechanism
dc.creator.none.fl_str_mv Abraham, Gustavo Abel
Gallardo, Alberto
Lozano, Angel E.
San Roman, Julio
author Abraham, Gustavo Abel
author_facet Abraham, Gustavo Abel
Gallardo, Alberto
Lozano, Angel E.
San Roman, Julio
author_role author
author2 Gallardo, Alberto
Lozano, Angel E.
San Roman, Julio
author2_role author
author
author
dc.subject.none.fl_str_mv Ring-Opening Polymerization
Lactones
Zinc Chloride
Mechanism
Quantum-Mechanical Calculation
topic Ring-Opening Polymerization
Lactones
Zinc Chloride
Mechanism
Quantum-Mechanical Calculation
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
https://purl.org/becyt/ford/2.5
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv ε-Caprolactone (ε-CL) has been mixed with ZnCl2 at different mol ratios. The resulting complex was characterized through 1H and 13C NMR spectroscopy in bulk and in solutions, differential scanning calorimetry (DSC), wide-angle X-ray diffraction (WAXD), and optical microscopy. Ring-opening polymerization of ε-caprolactone [M] using ZnCl2 as an initiator [I] at different monomer/initiator ratios has been successfully performed in xylene. The molecular weight of poly(ε-caprolactone) (PCL) as measured by gel permeation chromatografy (GPC) was found to depend linearly on the [M]/[I] ratio. Theoretical calculations were carried out to understand the geometry of the complex and the operating ring-opening mechanism. Both experimental and computational results and the presence of methylene–chloride end group, confirmed by NMR, are in agreement with a coordination–insertion mechanism for the ring-opening polymerization proposed in this article.
Fil: Abraham, Gustavo Abel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Fil: Gallardo, Alberto. Instituto de Ciencia y Tecnologia de Polimeros; España
Fil: Lozano, Angel E.. Instituto de Ciencia y Tecnologia de Polimeros; España
Fil: San Roman, Julio. Instituto de Ciencia y Tecnologia de Polimeros; España
description ε-Caprolactone (ε-CL) has been mixed with ZnCl2 at different mol ratios. The resulting complex was characterized through 1H and 13C NMR spectroscopy in bulk and in solutions, differential scanning calorimetry (DSC), wide-angle X-ray diffraction (WAXD), and optical microscopy. Ring-opening polymerization of ε-caprolactone [M] using ZnCl2 as an initiator [I] at different monomer/initiator ratios has been successfully performed in xylene. The molecular weight of poly(ε-caprolactone) (PCL) as measured by gel permeation chromatografy (GPC) was found to depend linearly on the [M]/[I] ratio. Theoretical calculations were carried out to understand the geometry of the complex and the operating ring-opening mechanism. Both experimental and computational results and the presence of methylene–chloride end group, confirmed by NMR, are in agreement with a coordination–insertion mechanism for the ring-opening polymerization proposed in this article.
publishDate 2000
dc.date.none.fl_str_mv 2000-03-09
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/35733
Abraham, Gustavo Abel; Gallardo, Alberto; Lozano, Angel E.; San Roman, Julio; e-Caprolactone / ZnCl2 complex formation: characterization and ring-opening polymerization mechanism; John Wiley & Sons Inc; Journal of Polymer Science Part A: Polymer Chemistry; 38; 8; 9-3-2000; 1355-1365
0887-624X
CONICET Digital
CONICET
url http://hdl.handle.net/11336/35733
identifier_str_mv Abraham, Gustavo Abel; Gallardo, Alberto; Lozano, Angel E.; San Roman, Julio; e-Caprolactone / ZnCl2 complex formation: characterization and ring-opening polymerization mechanism; John Wiley & Sons Inc; Journal of Polymer Science Part A: Polymer Chemistry; 38; 8; 9-3-2000; 1355-1365
0887-624X
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/(SICI)1099-0518(20000415)38:8%3C1355::AID-POLA20%3E3.0.CO;2-Z/abstract
info:eu-repo/semantics/altIdentifier/doi/10.1002/(SICI)1099-0518(20000415)38:8<1355::AID-POLA20>3.0.CO;2-Z
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv John Wiley & Sons Inc
publisher.none.fl_str_mv John Wiley & Sons Inc
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1844613870063190016
score 13.070432

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