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Synthesis of Pure Silica MWW Zeolite in Fluoride Medium by Using an Imidazolium-Based Long Dication
Lu, Peng1,2; Gomez-Hortiguela, Luis3; Camblor, Miguel A.1
Corresponding AuthorCamblor, Miguel A.(macamblor@icmm.csic.es)
Keyworddensity functional calculations fluoride media molecular mechanics structure directing agent zeolites
Source PublicationCHEMISTRY-A EUROPEAN JOURNAL
2019-01-28
ISSN0947-6539
DOI10.1002/chem.201804973
Volume25Issue:6Pages:1561-1572
Funding ProjectSpanish Ministry of Economy and Competitiveness[MAT2015-71117-R] ; Spanish Ministry of Economy and Competitiveness[MAT2016-77496-R] ; China Scholarship Council (CSC) ; Centro Tecnico Informatico-CSIC
Funding OrganizationSpanish Ministry of Economy and Competitiveness ; Spanish Ministry of Economy and Competitiveness ; China Scholarship Council (CSC) ; China Scholarship Council (CSC) ; Centro Tecnico Informatico-CSIC ; Centro Tecnico Informatico-CSIC ; Spanish Ministry of Economy and Competitiveness ; Spanish Ministry of Economy and Competitiveness ; China Scholarship Council (CSC) ; China Scholarship Council (CSC) ; Centro Tecnico Informatico-CSIC ; Centro Tecnico Informatico-CSIC ; Spanish Ministry of Economy and Competitiveness ; Spanish Ministry of Economy and Competitiveness ; China Scholarship Council (CSC) ; China Scholarship Council (CSC) ; Centro Tecnico Informatico-CSIC ; Centro Tecnico Informatico-CSIC ; Spanish Ministry of Economy and Competitiveness ; Spanish Ministry of Economy and Competitiveness ; China Scholarship Council (CSC) ; China Scholarship Council (CSC) ; Centro Tecnico Informatico-CSIC ; Centro Tecnico Informatico-CSIC
WOS SubjectChemistry, Multidisciplinary
WOS Research AreaChemistry
WOS KeywordSTRUCTURE DIRECTION ; NMR PARAMETERS ; MCM-22 ; PRECURSOR ; ALUMINUM ; SYSTEMS
AbstractAs the spacer length in 1,2-dimethylimidazolium-based dications increases beyond a specific point (six methylene units), they fail in structure-directing towards STW zeolites in any synthetic conditions. These dications can instead produce, under fluoride concentrated conditions, either *BEA [in the case of the eight-methylene-unit structure-directing agent (SDA)] or MWW (ten methylene units) zeolites. For any length of the dication, the default zeolite (MTW) is a relatively dense zeolite containing a unidimensional channel, whereas the zeolite demanding most specificity (STW, *BEA or MWW) is more porous, affording a larger concentration of the dication to be occluded. This work provides the first reported fluoride synthesis of pure silica MWW zeolites. Charge balance of the organic dications in this zeolite was achieved by combining "structural" silanolates, regular "connectivity defects" and occluded fluoride. Molecular mechanics calculations showed a perfect fit of the decamethylenebis(dimethylimidazolium) dication in the sinusoidal intralayer pore system of MWW. The calculations showed also that the dication is able to stabilize the interlayer space without disturbing the hydrogen-bonding system that holds the layers together in the as-made material. The F-19 magic-angle spinning (MAS) NMR presented two distinct resonances at -71 and -83 ppm, which, on the basis of DFT calculations, we tentatively assigned to fluoride occluded in [4(6)6(2)] and [4(1)5(2)6(2)] cages of the MWW structure, respectively. The same DFT study determines a different chemical shift of one methyl C-13 nuclear magnetic resonance according to the imidazolium ring residing in the sinusoidal channels or in the large cup cavities, thus explaining an experimentally observed splitting of that resonance.
Language英语
Funding OrganizationSpanish Ministry of Economy and Competitiveness ; Spanish Ministry of Economy and Competitiveness ; China Scholarship Council (CSC) ; China Scholarship Council (CSC) ; Centro Tecnico Informatico-CSIC ; Centro Tecnico Informatico-CSIC ; Spanish Ministry of Economy and Competitiveness ; Spanish Ministry of Economy and Competitiveness ; China Scholarship Council (CSC) ; China Scholarship Council (CSC) ; Centro Tecnico Informatico-CSIC ; Centro Tecnico Informatico-CSIC ; Spanish Ministry of Economy and Competitiveness ; Spanish Ministry of Economy and Competitiveness ; China Scholarship Council (CSC) ; China Scholarship Council (CSC) ; Centro Tecnico Informatico-CSIC ; Centro Tecnico Informatico-CSIC ; Spanish Ministry of Economy and Competitiveness ; Spanish Ministry of Economy and Competitiveness ; China Scholarship Council (CSC) ; China Scholarship Council (CSC) ; Centro Tecnico Informatico-CSIC ; Centro Tecnico Informatico-CSIC
WOS IDWOS:000457477100026
PublisherWILEY-V C H VERLAG GMBH
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/166143
Collection中国科学院大连化学物理研究所
Corresponding AuthorCamblor, Miguel A.
Affiliation1.CSIC, ICMM, C Sor Juana Ines de la Cruz 3, Madrid 28049, Spain
2.Chinese Acad Sci, Dalian Natl Lab Clean Energy, Dalian Inst Chem Phys, Zhongshan Rd, Dalian 116023, Peoples R China
3.CSIC, ICP, C Marie Curie 2, Madrid 28049, Spain
Recommended Citation
GB/T 7714
Lu, Peng,Gomez-Hortiguela, Luis,Camblor, Miguel A.. Synthesis of Pure Silica MWW Zeolite in Fluoride Medium by Using an Imidazolium-Based Long Dication[J]. CHEMISTRY-A EUROPEAN JOURNAL,2019,25(6):1561-1572.
APA Lu, Peng,Gomez-Hortiguela, Luis,&Camblor, Miguel A..(2019).Synthesis of Pure Silica MWW Zeolite in Fluoride Medium by Using an Imidazolium-Based Long Dication.CHEMISTRY-A EUROPEAN JOURNAL,25(6),1561-1572.
MLA Lu, Peng,et al."Synthesis of Pure Silica MWW Zeolite in Fluoride Medium by Using an Imidazolium-Based Long Dication".CHEMISTRY-A EUROPEAN JOURNAL 25.6(2019):1561-1572.
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