accordion-like effect of flexible organic structure-directing agents in the synthesis of ferrierite zeolite

Appendix A. Supplementary data Supplementary data to this article can be found online at https://doi. org/10.1016/j.micromeso.2020.110149

Detalles Bibliográficos
Autores: Almeida, Ramón Kenned S., Pérez-Pariente, Joaquín, Gómez-Hortigüela Sainz, Luis
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2020
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/212714
Acceso en línea:http://hdl.handle.net/10261/212714
Access Level:acceso abierto
Palabra clave:Conformational space
Zeolite
NMR
Organic structure-directing agents
Flexibility
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spelling accordion-like effect of flexible organic structure-directing agents in the synthesis of ferrierite zeoliteAlmeida, Ramón Kenned S.Pérez-Pariente, JoaquínGómez-Hortigüela Sainz, LuisConformational spaceZeoliteNMROrganic structure-directing agentsFlexibilityAppendix A. Supplementary data Supplementary data to this article can be found online at https://doi. org/10.1016/j.micromeso.2020.110149[EN] Ferrierite zeolite was synthesized by a co-structure-directing route using a highly flexible diquaternary ammo-nium cation (N,N0-bis-triethylpentanediyldiammonium) as a structure directing agent in combination with tet-ramethylammonium as a small co-structure-directing agent. Strong alterations of the 13C NMR bands of the bulky organic dication upon confinement within the ferrierite framework suggest a change of conformation driven by host-guest interactions. A combination of molecular mechanics and DFT calculations of the theoretical 13C NMR chemical shifts allowed to explain the observed differences in the NMR bands of the dication in solution and when hosted in ferrierite: upon confinement, the flexible dication needs to squeeze through the flexible pentyl chain which locates along the 10 MR ferrierite channels in order to host the two bulky triethyl ammonium groups in adjacent intersections with 8 MR channels. Our work suggests that highly flexible cations, usually considered as less convenient organic structure-directing agents because of low specificity, have the advantage of being able to properly fit with different zeolite cell dimensions through an accordion-like effect by squeezing or stretching their flexible chains.This work has been partially financed by the Spanish State Research Agency (Agencia Española de Investigación, AEI) and the European Regional Development Fund (Fondo Europeo de Desarrollo Regional, FEDER) through the Project MAT2016-77496-R (AEI/FEDER, UE), and by Consejo Superior de Investigaciones Científicas (CSIC) through project 201780I043. R.K.S.A. is grateful to Fundação de Amparo à Pesquisa do Estado de São Paulo – FAPESP (Process nº 2014/10609-5) for the scholarship and financial support during post-doctoral internship at Instituto de Catálisis y Petroleoquímica (CSIC). Secretaría General Adjunta de Informática-CSIC is acknowledged for running the calculations, and BIOVIA for providing the computational software.Peer reviewedElsevierMinisterio de Economía y Competitividad (España)Agencia Estatal de Investigación (España)Consejo Superior de Investigaciones Científicas (España)Fundação de Amparo à Pesquisa do Estado de São PauloConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202020202020info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Postprintinfo:eu-repo/semantics/acceptedVersionhttp://hdl.handle.net/10261/212714reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/MAT2016-77496-Rhttps://doi.org/10.1016/j.micromeso.2020.110149Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2127142026-05-22T06:33:51Z
dc.title.none.fl_str_mv accordion-like effect of flexible organic structure-directing agents in the synthesis of ferrierite zeolite
title accordion-like effect of flexible organic structure-directing agents in the synthesis of ferrierite zeolite
spellingShingle accordion-like effect of flexible organic structure-directing agents in the synthesis of ferrierite zeolite
Almeida, Ramón Kenned S.
Conformational space
Zeolite
NMR
Organic structure-directing agents
Flexibility
title_short accordion-like effect of flexible organic structure-directing agents in the synthesis of ferrierite zeolite
title_full accordion-like effect of flexible organic structure-directing agents in the synthesis of ferrierite zeolite
title_fullStr accordion-like effect of flexible organic structure-directing agents in the synthesis of ferrierite zeolite
title_full_unstemmed accordion-like effect of flexible organic structure-directing agents in the synthesis of ferrierite zeolite
title_sort accordion-like effect of flexible organic structure-directing agents in the synthesis of ferrierite zeolite
dc.creator.none.fl_str_mv Almeida, Ramón Kenned S.
Pérez-Pariente, Joaquín
Gómez-Hortigüela Sainz, Luis
author Almeida, Ramón Kenned S.
author_facet Almeida, Ramón Kenned S.
Pérez-Pariente, Joaquín
Gómez-Hortigüela Sainz, Luis
author_role author
author2 Pérez-Pariente, Joaquín
Gómez-Hortigüela Sainz, Luis
author2_role author
author
dc.contributor.none.fl_str_mv Ministerio de Economía y Competitividad (España)
Agencia Estatal de Investigación (España)
Consejo Superior de Investigaciones Científicas (España)
Fundação de Amparo à Pesquisa do Estado de São Paulo
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Conformational space
Zeolite
NMR
Organic structure-directing agents
Flexibility
topic Conformational space
Zeolite
NMR
Organic structure-directing agents
Flexibility
description Appendix A. Supplementary data Supplementary data to this article can be found online at https://doi. org/10.1016/j.micromeso.2020.110149
publishDate 2020
dc.date.none.fl_str_mv 2020
2020
2020
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Postprint
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/212714
url http://hdl.handle.net/10261/212714
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/MAT2016-77496-R
https://doi.org/10.1016/j.micromeso.2020.110149
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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