Lemishko, T.; Simancas-Coloma, J.; Hernández Rodríguez, M.; Jiménez-Ruiz, M.; Sastre Navarro, GI.; Rey Garcia, F. (2016). An INS study of entrapped organic cations within the micropores of zeolite RTH. Physical Chemistry Chemical Physics. 18(26):17244-17252. https://doi.org/10.1039/c6cp00971a
Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/85000
Title:
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An INS study of entrapped organic cations within the micropores of zeolite RTH
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Author:
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Lemishko, Tetiana
Simancas-Coloma, Jorge
Hernández Rodríguez, Manuel
Jiménez-Ruiz, Mónica
Sastre Navarro, German Ignacio
Rey Garcia, Fernando
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UPV Unit:
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Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química
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Issued date:
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Abstract:
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[EN] Two different organic cations (structure directing agents, SDAs) have been selected because of their ability to drive the synthesis of zeolites towards the same microporous material, RUB-13 (RTH), both being ...[+]
[EN] Two different organic cations (structure directing agents, SDAs) have been selected because of their ability to drive the synthesis of zeolites towards the same microporous material, RUB-13 (RTH), both being organophosphorous compounds. These P containing structure directing agents are characterized by a high concentration of positive charge on the phosphorus atom. Then, in the presence of fluoride anions used in these syntheses, a strong P+ center dot center dot center dot F- electrostatic contribution competes with the van der Waals short range SDA . . . zeolite interaction that drives the zeolite formation. The rotation of the methyl groups present in the SDA is expected to be nearly free if van der Waals interactions dominate, but they will be hindered if the Coulombic P+ center dot center dot center dot F- term forces a closer approach to the SDA towards the zeolite framework. SDAs can be designed a priori to tune which interactions dominate. The rotational mobility of the SDAs, as well as certain related bending modes, has been well tackled by inelastic neutron scattering (INS) in order to test this hypothesis. The INS results provide valuable information for the design of specific SDAs for the synthesis of zeolites.
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Subjects:
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STRUCTURE-DIRECTING AGENTS
,
INTERATOMIC POTENTIALS
,
NEUTRON-SCATTERING
,
MOLECULAR-SYSTEMS
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CALCINATION
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SIMULATION
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SILICATES
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DYNAMICS
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PROGRAM
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ZSM-18
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Copyrigths:
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Cerrado |
Source:
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Physical Chemistry Chemical Physics. (issn:
1463-9076
) (eissn:
1463-9084
)
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DOI:
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10.1039/c6cp00971a
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Publisher:
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Royal Society of Chemistry
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Publisher version:
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http://doi.org/10.1039/c6cp00971a
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Project ID:
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info:eu-repo/grantAgreement/MINECO//MAT2015-71842-P/ES/SINTESIS Y CARACTERIZACION AVANZADA DE NUEVOS MATERIALES ZEOLITICOS Y APLICACIONES EN ADSORCION, MEDIOAMBIENTE Y EN LA CONSERVACION DE ALIMENTOS/
info:eu-repo/grantAgreement/GVA//PROMETEOII%2F2013%2F011/ES/Catalizadores moleculares y supramoleculares altamente selectivos, estables y energéticamente eficientes en reacciones químicas (PROMETEO)/
info:eu-repo/grantAgreement/MINECO//SEV-2012-0267/ES/SEV-2012-0267/
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Thanks:
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Ministerio de Economia y Competitividad of Spain is thanked for the provision of funding through the excellence programme 'Sever Ochoa' (SEV-2012-0267) and MAT2015-71842-P. Generalitat Valenciana is acknowledged for funding ...[+]
Ministerio de Economia y Competitividad of Spain is thanked for the provision of funding through the excellence programme 'Sever Ochoa' (SEV-2012-0267) and MAT2015-71842-P. Generalitat Valenciana is acknowledged for funding through the PROMETEO program (PROMETEOII/2013/011). All authors thank ILL for neutron beam-time allocation (experiment 7-04-129) and ILL C-Lab for simulation support. GS thanks Centro Tecnico de Informatica (CTI-CSIC) for the use of computational facilities. GS and TL thank ILL for the provision of the contract SRH/GRI/AS-15/222 ("Inelastic Neutron Scattering study of zeolite acidity") and the PhD contract. Prof. Javier Campo is acknowledged for helpful suggestions.
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Type:
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Artículo
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