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dc.contributor.author | Almeida, Ramón Kenned S. | es_ES |
dc.contributor.author | Pérez-Pariente, Joaquín | es_ES |
dc.contributor.author | Gómez-Hortigüela Sainz, Luis | es_ES |
dc.date.accessioned | 2020-05-29T12:00:03Z | - |
dc.date.available | 2020-05-29T12:00:03Z | - |
dc.date.issued | 2020-06-15 | - |
dc.identifier.citation | Microporous and Mesoporous Materials | es_ES |
dc.identifier.issn | 1387-1811 | - |
dc.identifier.uri | http://hdl.handle.net/10261/212714 | - |
dc.description | Appendix A. Supplementary data Supplementary data to this article can be found online at https://doi. org/10.1016/j.micromeso.2020.110149 | es_ES |
dc.description.abstract | [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. | es_ES |
dc.description.sponsorship | 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. | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Elsevier | es_ES |
dc.relation | info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/MAT2016-77496-R | es_ES |
dc.relation.isversionof | Postprint | es_ES |
dc.rights | openAccess | en_EN |
dc.subject | Conformational space | es_ES |
dc.subject | Zeolite | es_ES |
dc.subject | NMR | es_ES |
dc.subject | Organic structure-directing agents | es_ES |
dc.subject | Flexibility | es_ES |
dc.title | accordion-like effect of flexible organic structure-directing agents in the synthesis of ferrierite zeolite | es_ES |
dc.type | artículo | es_ES |
dc.description.peerreviewed | Peer reviewed | es_ES |
dc.relation.publisherversion | https://doi.org/10.1016/j.micromeso.2020.110149 | es_ES |
dc.embargo.terms | 2022-03-09 | es_ES |
dc.rights.license | © 2020 Elsevier Inc. All rights reserved | es_ES |
dc.contributor.funder | Ministerio de Economía y Competitividad (España) | es_ES |
dc.contributor.funder | Agencia Estatal de Investigación (España) | es_ES |
dc.contributor.funder | Consejo Superior de Investigaciones Científicas (España) | es_ES |
dc.contributor.funder | Fundação de Amparo à Pesquisa do Estado de São Paulo | es_ES |
dc.relation.csic | Sí | es_ES |
oprm.item.hasRevision | no ko 0 false | * |
dc.identifier.funder | http://dx.doi.org/10.13039/501100003339 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100003329 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100011033 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100001807 | es_ES |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.grantfulltext | open | - |
item.openairetype | artículo | - |
item.fulltext | With Fulltext | - |
item.languageiso639-1 | en | - |
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Almeida_Accordion_Manuscript-LGH-rev-def_2020.pdf | Postprint | 1,63 MB | Adobe PDF | Visualizar/Abrir |
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