Structure–direction towards the new large pore zeolite NUD-3

[EN] The new zeolite NUD-3 possesses a three-dimensional system of large pore channels that is topologically identical to those of ITQ-21 and PKU- 14. However, the three zeolites have distinctly different frameworks: a particular single 4-membered ring inside the denser portion of the zeolite is mis...

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Detalles Bibliográficos
Autores: Chen, Fei-Jian, Gao, Zihao Rei, Li, Jian, Gómez-Hortigüela Sainz, Luis, Lin, Cong, Xu, Le, Du, Hong-Bin, Márquez Álvarez, Carlos, Sun, Junliang, Camblor, Miguel Ángel
Tipo de recurso: artículo
Estado:Versión publicada
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:10261/250607
Acceso en línea:http://hdl.handle.net/10261/250607
Access Level:acceso abierto
Palabra clave:NUD-3
zeolites
Structure directing agents (SDAs)
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spelling Structure–direction towards the new large pore zeolite NUD-3Chen, Fei-JianGao, Zihao ReiLi, JianGómez-Hortigüela Sainz, LuisLin, CongXu, LeDu, Hong-BinMárquez Álvarez, CarlosSun, JunliangCamblor, Miguel ÁngelNUD-3zeolitesStructure directing agents (SDAs)[EN] The new zeolite NUD-3 possesses a three-dimensional system of large pore channels that is topologically identical to those of ITQ-21 and PKU- 14. However, the three zeolites have distinctly different frameworks: a particular single 4-membered ring inside the denser portion of the zeolite is missing in PKU-14, disordered in ITQ-21 and fully ordered in NUD-3. We document these differences and use molecular simulations to unravel the mechanismbywhich a particular structure directing agent dication, 1,10-(1,2-phenylenebis(methylene))bis(3-methylimidazolium), is able to orient this inner ring.Spanish Ministry of Science Innovation and Universities (MAT2015-71117-R, PID2019-105479RB-I00 and PID2019-107968RB-I00 projects, AEI, Spain and FEDER, EU), the National Natural Science Foundation of China (No. 22071099, 21673115, 21527803, 21871009, and 21601004), top talent cultivation program of Anhui Educational Committee (gxgwfx2018051), and the Swedish Research Council (VR) and the Knut and Alice Wallenberg Foundation (KAW). Synchrotron experiments were performed at beamline BL04 (MSPD) at ALBA Synchrotron with the collaboration of ALBA staff, and special thanks are given to A. Manjo´n for support in collecting the data and for helpful comments and suggestions. Z. R. G. specially thanks Yingxia Wang of Peking University for her kind suggestions and help with this paper. Centro Te´cnico Informa´tico- CSIC is acknowledged for running the calculations, and BIOVIA for providing the computational software. We acknowledge support of the publication fee by the CSIC Open Access Publication Support Initiative through its Unit of Information Resources for Research (URICI).Peer reviewedRoyal Society of Chemistry (UK)Ministerio de Economía y Competitividad (España)Ministerio de Ciencia, Innovación y Universidades (España)National Natural Science Foundation of ChinaSwedish Research CouncilKnut and Alice Wallenberg FoundationConsejo Superior de Investigaciones Científicas (España)Chen, Fei-Jian [0000-0001-9345-9459]Gao, Zihao Rei [0000-0003-0331-3515]Li, Jian [0000-0003-2221-2285]Gómez-Hortigüela Sainz, Luis [0000-0002-4960-8709]Lin, Cong [0000-0003-0021-5055]Xu, Le [0000-0002-9727-7713]Du, Hong-Bin [0000-0002-5293-2323]Márquez Álvarez, Carlos [0000-0003-2749-4269]Sun, Junliang [0000-0003-4074-0962]Camblor, Miguel Ángel [0000-0001-9591-3432]Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202120212020info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/250607reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/MAT2015-71117-Rinfo:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-105479RB-I00info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-107968RB-I0010.1039/d0cc07333dSíinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2506072026-05-22T06:33:51Z
dc.title.none.fl_str_mv Structure–direction towards the new large pore zeolite NUD-3
title Structure–direction towards the new large pore zeolite NUD-3
spellingShingle Structure–direction towards the new large pore zeolite NUD-3
Chen, Fei-Jian
NUD-3
zeolites
Structure directing agents (SDAs)
title_short Structure–direction towards the new large pore zeolite NUD-3
title_full Structure–direction towards the new large pore zeolite NUD-3
title_fullStr Structure–direction towards the new large pore zeolite NUD-3
title_full_unstemmed Structure–direction towards the new large pore zeolite NUD-3
title_sort Structure–direction towards the new large pore zeolite NUD-3
dc.creator.none.fl_str_mv Chen, Fei-Jian
Gao, Zihao Rei
Li, Jian
Gómez-Hortigüela Sainz, Luis
Lin, Cong
Xu, Le
Du, Hong-Bin
Márquez Álvarez, Carlos
Sun, Junliang
Camblor, Miguel Ángel
author Chen, Fei-Jian
author_facet Chen, Fei-Jian
Gao, Zihao Rei
Li, Jian
Gómez-Hortigüela Sainz, Luis
Lin, Cong
Xu, Le
Du, Hong-Bin
Márquez Álvarez, Carlos
Sun, Junliang
Camblor, Miguel Ángel
author_role author
author2 Gao, Zihao Rei
Li, Jian
Gómez-Hortigüela Sainz, Luis
Lin, Cong
Xu, Le
Du, Hong-Bin
Márquez Álvarez, Carlos
Sun, Junliang
Camblor, Miguel Ángel
author2_role author
author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Ministerio de Economía y Competitividad (España)
Ministerio de Ciencia, Innovación y Universidades (España)
National Natural Science Foundation of China
Swedish Research Council
Knut and Alice Wallenberg Foundation
Consejo Superior de Investigaciones Científicas (España)
Chen, Fei-Jian [0000-0001-9345-9459]
Gao, Zihao Rei [0000-0003-0331-3515]
Li, Jian [0000-0003-2221-2285]
Gómez-Hortigüela Sainz, Luis [0000-0002-4960-8709]
Lin, Cong [0000-0003-0021-5055]
Xu, Le [0000-0002-9727-7713]
Du, Hong-Bin [0000-0002-5293-2323]
Márquez Álvarez, Carlos [0000-0003-2749-4269]
Sun, Junliang [0000-0003-4074-0962]
Camblor, Miguel Ángel [0000-0001-9591-3432]
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv NUD-3
zeolites
Structure directing agents (SDAs)
topic NUD-3
zeolites
Structure directing agents (SDAs)
description [EN] The new zeolite NUD-3 possesses a three-dimensional system of large pore channels that is topologically identical to those of ITQ-21 and PKU- 14. However, the three zeolites have distinctly different frameworks: a particular single 4-membered ring inside the denser portion of the zeolite is missing in PKU-14, disordered in ITQ-21 and fully ordered in NUD-3. We document these differences and use molecular simulations to unravel the mechanismbywhich a particular structure directing agent dication, 1,10-(1,2-phenylenebis(methylene))bis(3-methylimidazolium), is able to orient this inner ring.
publishDate 2020
dc.date.none.fl_str_mv 2020
2021
2021
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/250607
url http://hdl.handle.net/10261/250607
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
#PLACEHOLDER_PARENT_METADATA_VALUE#
#PLACEHOLDER_PARENT_METADATA_VALUE#
info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/MAT2015-71117-R
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-105479RB-I00
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-107968RB-I00
10.1039/d0cc07333d
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Royal Society of Chemistry (UK)
publisher.none.fl_str_mv Royal Society of Chemistry (UK)
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
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