Study of the performance of imidazolium-derived cations as structure directing agents in the synthesis of zeolites in fluoride media

Three imidazolium cations based on the imidazolium ring, 1,2,3-triethylimidazolium (123TEI), 1,2,3- triethyl-4-methylimidazolium (123TE4MI), and 2-ethyl-1,3-dimethylimidazolium (2E13DMI), were employed as structure directing agents (SDA) in the synthesis of pure silica zeolites, and led the crystall...

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Detalles Bibliográficos
Autores: Pergher, Sibele Berenice Castellã, Variani, Y. M., Rojas, A., Gómez-Hortigüela, L.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2016
País:Brasil
Institución:Universidade Federal do Rio Grande do Norte (UFRN)
Repositorio:Repositório Institucional da UFRN
Idioma:inglés
OAI Identifier:oai:repositorio.ufrn.br:123456789/29501
Acceso en línea:https://repositorio.ufrn.br/jspui/handle/123456789/29501
Access Level:acceso abierto
Palabra clave:Imidazolium
Cations
Zeolites
Fluoride media
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spelling Study of the performance of imidazolium-derived cations as structure directing agents in the synthesis of zeolites in fluoride mediaImidazoliumCationsZeolitesFluoride mediaThree imidazolium cations based on the imidazolium ring, 1,2,3-triethylimidazolium (123TEI), 1,2,3- triethyl-4-methylimidazolium (123TE4MI), and 2-ethyl-1,3-dimethylimidazolium (2E13DMI), were employed as structure directing agents (SDA) in the synthesis of pure silica zeolites, and led the crystallization of the STF zeolite. The three cations showed a different specificity for this phase, following the order 123TE4MI 4 123TEI 4 2E13DMI. Nevertheless, the 123TEI cation was also able to produce zeolite MFI when considerably high H2O/SiO2 ratios were employed. In order to understand the selectivity of these imidazolium-based SDAs and explain the experimental results, a computational study was performed, showing a perfect agreement with the experimental observations. In the case of the MFI framework, the order of interaction energies found for this framework was 123TEI 4 123TE4MI 4 2E13DMI, providing an explanation to the experimental results. Hence, the 123TEI cation presents a certain template effect in terms of a spatial relationship between the shape of the organic cation and the topology of the MFI structure. A higher degree of motion of the 123TEI cation is observed when occluded within the cavities of the STF framework compared to when hosted in the channel intersections of the MFI framework, explaining the different widths of the 13C NMR bands in the two materialsRoyal Society of Chemistry2020-07-08T17:43:36Z2020-07-08T17:43:36Z2016info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfVARIANI, Y. M.; ROJAS, A.; GÓMEZ-HORTIGÜELA, L.; PERGHER, Sibele Berenice Castella. Study of the performance of imidazolium-derived cations as structure directing agents in the synthesis of zeolites in fluoride media. New Journal Of Chemistry, [s.l.], v. 40, n. 9, p. 7968-7977, 2016. ISSN 1369-9261 versão online. Disponível em: https://pubs.rsc.org/en/content/articlelanding/2016/NJ/C6NJ00444J#!divAbstract. Acesso em: 08 jul. 2020. http://dx.doi.org/10.1039/c6nj00444j.1144-0546 (print), 1369-9261 (online)https://repositorio.ufrn.br/jspui/handle/123456789/2950110.1039/c6nj00444j.ark:/41046/0013000020wg3Attribution-NonCommercial 3.0 Brazilhttp://creativecommons.org/licenses/by-nc/3.0/br/info:eu-repo/semantics/openAccessengreponame:Repositório Institucional da UFRNinstname:Universidade Federal do Rio Grande do Norte (UFRN)instacron:UFRNPergher, Sibele Berenice CastellãVariani, Y. M.Rojas, A.Gómez-Hortigüela, L.2021-02-15T19:39:06Zoai:repositorio.ufrn.br:123456789/29501Repositório InstitucionalPUBhttp://repositorio.ufrn.br/oai/repositorio@bczm.ufrn.bropendoar:2021-02-15T19:39:06Repositório Institucional da UFRN - Universidade Federal do Rio Grande do Norte (UFRN)false
dc.title.none.fl_str_mv Study of the performance of imidazolium-derived cations as structure directing agents in the synthesis of zeolites in fluoride media
title Study of the performance of imidazolium-derived cations as structure directing agents in the synthesis of zeolites in fluoride media
spellingShingle Study of the performance of imidazolium-derived cations as structure directing agents in the synthesis of zeolites in fluoride media
Pergher, Sibele Berenice Castellã
Imidazolium
Cations
Zeolites
Fluoride media
title_short Study of the performance of imidazolium-derived cations as structure directing agents in the synthesis of zeolites in fluoride media
title_full Study of the performance of imidazolium-derived cations as structure directing agents in the synthesis of zeolites in fluoride media
title_fullStr Study of the performance of imidazolium-derived cations as structure directing agents in the synthesis of zeolites in fluoride media
title_full_unstemmed Study of the performance of imidazolium-derived cations as structure directing agents in the synthesis of zeolites in fluoride media
title_sort Study of the performance of imidazolium-derived cations as structure directing agents in the synthesis of zeolites in fluoride media
dc.creator.none.fl_str_mv Pergher, Sibele Berenice Castellã
Variani, Y. M.
Rojas, A.
Gómez-Hortigüela, L.
author Pergher, Sibele Berenice Castellã
author_facet Pergher, Sibele Berenice Castellã
Variani, Y. M.
Rojas, A.
Gómez-Hortigüela, L.
author_role author
author2 Variani, Y. M.
Rojas, A.
Gómez-Hortigüela, L.
author2_role author
author
author
dc.subject.por.fl_str_mv Imidazolium
Cations
Zeolites
Fluoride media
topic Imidazolium
Cations
Zeolites
Fluoride media
description Three imidazolium cations based on the imidazolium ring, 1,2,3-triethylimidazolium (123TEI), 1,2,3- triethyl-4-methylimidazolium (123TE4MI), and 2-ethyl-1,3-dimethylimidazolium (2E13DMI), were employed as structure directing agents (SDA) in the synthesis of pure silica zeolites, and led the crystallization of the STF zeolite. The three cations showed a different specificity for this phase, following the order 123TE4MI 4 123TEI 4 2E13DMI. Nevertheless, the 123TEI cation was also able to produce zeolite MFI when considerably high H2O/SiO2 ratios were employed. In order to understand the selectivity of these imidazolium-based SDAs and explain the experimental results, a computational study was performed, showing a perfect agreement with the experimental observations. In the case of the MFI framework, the order of interaction energies found for this framework was 123TEI 4 123TE4MI 4 2E13DMI, providing an explanation to the experimental results. Hence, the 123TEI cation presents a certain template effect in terms of a spatial relationship between the shape of the organic cation and the topology of the MFI structure. A higher degree of motion of the 123TEI cation is observed when occluded within the cavities of the STF framework compared to when hosted in the channel intersections of the MFI framework, explaining the different widths of the 13C NMR bands in the two materials
publishDate 2016
dc.date.none.fl_str_mv 2016
2020-07-08T17:43:36Z
2020-07-08T17:43:36Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv VARIANI, Y. M.; ROJAS, A.; GÓMEZ-HORTIGÜELA, L.; PERGHER, Sibele Berenice Castella. Study of the performance of imidazolium-derived cations as structure directing agents in the synthesis of zeolites in fluoride media. New Journal Of Chemistry, [s.l.], v. 40, n. 9, p. 7968-7977, 2016. ISSN 1369-9261 versão online. Disponível em: https://pubs.rsc.org/en/content/articlelanding/2016/NJ/C6NJ00444J#!divAbstract. Acesso em: 08 jul. 2020. http://dx.doi.org/10.1039/c6nj00444j.
1144-0546 (print), 1369-9261 (online)
https://repositorio.ufrn.br/jspui/handle/123456789/29501
10.1039/c6nj00444j.
dc.identifier.dark.fl_str_mv ark:/41046/0013000020wg3
identifier_str_mv VARIANI, Y. M.; ROJAS, A.; GÓMEZ-HORTIGÜELA, L.; PERGHER, Sibele Berenice Castella. Study of the performance of imidazolium-derived cations as structure directing agents in the synthesis of zeolites in fluoride media. New Journal Of Chemistry, [s.l.], v. 40, n. 9, p. 7968-7977, 2016. ISSN 1369-9261 versão online. Disponível em: https://pubs.rsc.org/en/content/articlelanding/2016/NJ/C6NJ00444J#!divAbstract. Acesso em: 08 jul. 2020. http://dx.doi.org/10.1039/c6nj00444j.
1144-0546 (print), 1369-9261 (online)
10.1039/c6nj00444j.
ark:/41046/0013000020wg3
url https://repositorio.ufrn.br/jspui/handle/123456789/29501
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv Attribution-NonCommercial 3.0 Brazil
http://creativecommons.org/licenses/by-nc/3.0/br/
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Attribution-NonCommercial 3.0 Brazil
http://creativecommons.org/licenses/by-nc/3.0/br/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
dc.source.none.fl_str_mv reponame:Repositório Institucional da UFRN
instname:Universidade Federal do Rio Grande do Norte (UFRN)
instacron:UFRN
instname_str Universidade Federal do Rio Grande do Norte (UFRN)
instacron_str UFRN
institution UFRN
reponame_str Repositório Institucional da UFRN
collection Repositório Institucional da UFRN
repository.name.fl_str_mv Repositório Institucional da UFRN - Universidade Federal do Rio Grande do Norte (UFRN)
repository.mail.fl_str_mv repositorio@bczm.ufrn.br
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