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Preferential Location of Ge Atoms in Polymorph C of Beta Zeolite (ITQ‐17) and Their Structure‐Directing Effect: A Computational, XRD, and NMR Spectroscopic Study

2002; Wiley; Volume: 114; Issue: 24 Linguagem: Alemão

10.1002/ange.200290027

1521-3757

Germán Sastre, Alejandro Vidal‐Moya, Teresa Blasco, Jordi Rius, J.L. Jordá, M. Navarro, Fernando Rey, Avelino Corma,

Chemical Synthesis and Characterization

Angewandte ChemieVolume 114, Issue 24 p. 4916-4920 Zuschrift Preferential Location of Ge Atoms in Polymorph C of Beta Zeolite (ITQ-17) and Their Structure-Directing Effect: A Computational, XRD, and NMR Spectroscopic Study† German Sastre Dr., German Sastre Dr. Instituto de Tecnologia Química, (UPV-CSIC) Universidad Politecnica de Valencia Avenida Los Naranjos s/n, 46022 Valencia, Spain, Fax: (+34) 96-387-7809Search for more papers by this authorJose A. Vidal-Moya, Jose A. Vidal-Moya Instituto de Tecnologia Química, (UPV-CSIC) Universidad Politecnica de Valencia Avenida Los Naranjos s/n, 46022 Valencia, Spain, Fax: (+34) 96-387-7809Search for more papers by this authorTeresa Blasco Dr., Teresa Blasco Dr. Instituto de Tecnologia Química, (UPV-CSIC) Universidad Politecnica de Valencia Avenida Los Naranjos s/n, 46022 Valencia, Spain, Fax: (+34) 96-387-7809Search for more papers by this authorJordi Rius Dr., Jordi Rius Dr. Institut de Ciencia de Materials de Barcelona (CSIC) Campus de la UAB, 08193 Bellaterra, Catalunya, SpainSearch for more papers by this authorJose L. Jordá Dr., Jose L. Jordá Dr. Institut de Ciencia de Materials de Barcelona (CSIC) Campus de la UAB, 08193 Bellaterra, Catalunya, SpainSearch for more papers by this authorMaria T. Navarro Dr., Maria T. Navarro Dr. Instituto de Tecnologia Química, (UPV-CSIC) Universidad Politecnica de Valencia Avenida Los Naranjos s/n, 46022 Valencia, Spain, Fax: (+34) 96-387-7809Search for more papers by this authorFernando Rey Dr., Fernando Rey Dr. Instituto de Tecnologia Química, (UPV-CSIC) Universidad Politecnica de Valencia Avenida Los Naranjos s/n, 46022 Valencia, Spain, Fax: (+34) 96-387-7809Search for more papers by this authorAvelino Corma Prof., Avelino Corma Prof. acorma@itq.upv.es Instituto de Tecnologia Química, (UPV-CSIC) Universidad Politecnica de Valencia Avenida Los Naranjos s/n, 46022 Valencia, Spain, Fax: (+34) 96-387-7809Search for more papers by this author German Sastre Dr., German Sastre Dr. Instituto de Tecnologia Química, (UPV-CSIC) Universidad Politecnica de Valencia Avenida Los Naranjos s/n, 46022 Valencia, Spain, Fax: (+34) 96-387-7809Search for more papers by this authorJose A. Vidal-Moya, Jose A. Vidal-Moya Instituto de Tecnologia Química, (UPV-CSIC) Universidad Politecnica de Valencia Avenida Los Naranjos s/n, 46022 Valencia, Spain, Fax: (+34) 96-387-7809Search for more papers by this authorTeresa Blasco Dr., Teresa Blasco Dr. Instituto de Tecnologia Química, (UPV-CSIC) Universidad Politecnica de Valencia Avenida Los Naranjos s/n, 46022 Valencia, Spain, Fax: (+34) 96-387-7809Search for more papers by this authorJordi Rius Dr., Jordi Rius Dr. Institut de Ciencia de Materials de Barcelona (CSIC) Campus de la UAB, 08193 Bellaterra, Catalunya, SpainSearch for more papers by this authorJose L. Jordá Dr., Jose L. Jordá Dr. Institut de Ciencia de Materials de Barcelona (CSIC) Campus de la UAB, 08193 Bellaterra, Catalunya, SpainSearch for more papers by this authorMaria T. Navarro Dr., Maria T. Navarro Dr. Instituto de Tecnologia Química, (UPV-CSIC) Universidad Politecnica de Valencia Avenida Los Naranjos s/n, 46022 Valencia, Spain, Fax: (+34) 96-387-7809Search for more papers by this authorFernando Rey Dr., Fernando Rey Dr. Instituto de Tecnologia Química, (UPV-CSIC) Universidad Politecnica de Valencia Avenida Los Naranjos s/n, 46022 Valencia, Spain, Fax: (+34) 96-387-7809Search for more papers by this authorAvelino Corma Prof., Avelino Corma Prof. acorma@itq.upv.es Instituto de Tecnologia Química, (UPV-CSIC) Universidad Politecnica de Valencia Avenida Los Naranjos s/n, 46022 Valencia, Spain, Fax: (+34) 96-387-7809Search for more papers by this author First published: 12 December 2002 https://doi.org/10.1002/ange.200290027Citations: 20 † We thank Generalitat Valenciana (project GV01-492) and Spanish CICYT (projects MAT 2000-1392, MAT 2000-1167-C02-01, and PB98-0483) for financial support, and C4 (Centre de Computacio i Comunicacions de Catalunya) and Centro de Cálculo de la Universidad Politécnica de Valencia for the use of their computational facilities. The High Performance Computational Chemistry Group from Pacific Northwest National Laboratory (Richland, Washington 993520999), is acknowledged for making available NWChem version 4.0, a computational chemistry package for parallel computers. The authors also acknowledge financial support from EEC ARI contract HPRI-CT-1999-00042 to access the HRSHTLNMR facility. We also thank Dr. L. Delevoye from Bruker Biospin for recording some NMR spectra. J.L.J. thanks UPV for a postdoctoral grant. J.A.V.M. acknowledges Bruker (Program I3P) for a predoctoral grant. Read the full textAboutPDF ToolsRequest permissionAdd to favorites ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinkedInRedditWechat Graphical Abstract Germanium-gesteuerte Zeolithe: Simulationen von atomaren Kraftfeldern werden verwendet, um Ge-Atome und strukturdirigierende Reagentien im Ge-haltigen Zeolith ITQ-17 (siehe Bild) zu lokalisieren. Die Ge-Atome befinden sich vorzugsweise in den T1-Positionen, die doppelte Vierring-Einheiten bilden. Ein kombinierter theoretischer und experimenteller Ansatz ermöglichte es, die bevorzugten Positionen der Ge-Atome in den viergliedrigen Doppelringen von Polymorph C des Beta-Zeoliths zu bestimmen und den damit einhergehenden struktursteuernden Effekt nachzuweisen. Citing Literature Supporting Information Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2001/2002/z19356_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article. Volume114, Issue24December 16, 2002Pages 4916-4920 This is the German version of Angewandte Chemie. Note for articles published since 1962: Do not cite this version alone. Take me to the International Edition version with citable page numbers, DOI, and citation export. We apologize for the inconvenience. RelatedInformation