An in situ Fourier transform infrared studyof zeolitic vibrations: Dehydration, deammoniation, and reammoniation of ion-exchanged Y zeolites

Jacobs, Wpjh; Wolput, van J H M C Jos; Santen, van Ra Rutger

doi:10.1016/s0144-2449(05)80274-x

Cited by 64 publications

(57 citation statements)

References 43 publications

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“…It is known [18] that Co 2+ ions preferably occupy site I, I t, and IIp after dehydration. According to Jacobs et al [13], the IR spectrum of dehydrated CoNaY is in agreement with this occupation. The neutral Co sulfide entities formed during sulfidation will not have a strong interaction with the zeolite lattice and it can be expected that the vibration modes of cations will be absent in the spectrum.…”

Section: Discussionsupporting

confidence: 68%

“…In the far IR region (40-340 cm -1) cation vibrations are observed. Jacobs et al [13] studied infrared vibration modes of monovalent and divalent cations, including Co 2+, in ion exchanged zeolite Y. Based on their findings, the bands observed at 102 and 173 cm -1 are assigned to Co 2+ located at site I' and site I respectively.…”

Section: Fourier Transform Infrared Spectroscopy ( Ftir )mentioning

confidence: 99%

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Instability of zeolite Y supported cobalt sulfide hydrotreating catalysts in the absence of H2S

et al. 1996

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Please check the document version of this publication:• A submitted manuscript is the author's version of the article upon submission and before peer-review. There can be important differences between the submitted version and the official published version of record. People interested in the research are advised to contact the author for the final version of the publication, or visit the DOI to the publisher's website.• The final author version and the galley proof are versions of the publication after peer review.• The final published version features the final layout of the paper including the volume, issue and page numbers. Link to publication Citation for published version (APA):Vissenberg, M. J., Bont, de, P. W., Oers, van, E. M., de Haan, R. A., Boellaard, E., Kraan, van der, A. M., ... Santen, van, R. A. (1996). Instability of zeolite Y supported cobalt sulfide hydrotreating catalysts in the absence of H2S. Catalysis Letters, 40(1-2), 25-29. DOI: 10.1007/BF00807451 General rightsCopyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights.• Users may download and print one copy of any publication from the public portal for the purpose of private study or research.• You may not further distribute the material or use it for any profit-making activity or commercial gain • You may freely distribute the URL identifying the publication in the public portal ? Take down policyIf you believe that this document breaches copyright please contact us providing details, and we will remove access to the work immediately and investigate your claim. Ion exchanged CoNaY was sulfided at 473 and 673 K and subsequently heated in He at 673 and 773 K. The resulting samples were characterized by means of overall sulfur analysis, temperature programmed Ar treatment and Fourier transform infrared spectroscopy. It was shown that during He flushing at sufficiently high temperature a protolysis reaction occurs resulting in the decomposition of Co sulfide into Co 2+ ions and H2S.

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Section: Discussionsupporting

confidence: 68%

Section: Fourier Transform Infrared Spectroscopy ( Ftir )mentioning

confidence: 99%

Instability of zeolite Y supported cobalt sulfide hydrotreating catalysts in the absence of H2S

et al. 1996

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“…[15][16][17][18] Hence, the energy of adsorption of NH 3 depends not only on the energy of deprotonation of the zeolite ͑DP͒, but also on the proton affinity of NH 3 ͑PA͒ and the binding energy of the ammonium ion onto the negatively charged surface ͑ion pair binding energy IP͒, as shown in the thermodynamic cycle below.…”

Section: System Studied and Previous Calculationsmentioning

confidence: 99%

“…[15][16][17][18] Detailed comparison of the QM-Pot chemisorption energy with microcalorimetric data was already made in Ref. 9.…”

Section: G Comparison With Previous Workmentioning

confidence: 99%

Comparison of a combined quantum mechanics/interatomic potential function approach with its periodic quantum-mechanical limit: Proton siting and ammonia adsorption in zeolite chabazite

Brändle

Sauer

Dovesi

et al. 1998

The Journal of Chemical Physics

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Comparison is made between a combined quantum mechanics/interatomic potential function approach ͑QM-Pot͒ and its fully quantum-mechanical limit, ab initio calculation applying periodic boundary conditions. The Hartree-Fock ͑HF͒ method is combined with ab initio-parametrized ion pair shell model potential functions. The CRYSTAL code is employed for the periodic Hartree-Fock calculations. The same double-/valence triple-zeta polarization basis sets are used in both the approaches. The proton siting and ammonia adsorption in a high-silica acidic zeolite catalyst, H-chabazite ͑Si/Alϭ11, space group P1, unit cell H-AlO 2 ͓SiO 2 ] 11 ) are examined. The combined QM-Pot relative stabilities and reaction energies deviate from the periodic full QM results by 4-9 kJ/mol only, which demonstrates the power of our combined approach. This conclusion is also supported by comparison of the electrostatic potential inside the zeolite pore, calculated from the periodic wave function and by the QM-Pot approach. Framework oxygen O1 is found to be the preferred proton site and on interaction with NH 3 the proton is predicted to move to NH 3 yielding NH 4ϩ . The NH 4 ϩ surface species is coordinated to two framework oxygen atoms. It is by 30-35 kJ/mol more stable than the neutral adsorption complex of NH 3 . Evidence is produced that the failure of previous periodic HF calculations to predict a stable NH 4 ϩ ion is due to the limitations of the minimum basis set used.

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“…͑The samples were self-supported discs of 4 -6 mg/cm 2 ͒. 54,55 All experiments were done at room temperature with the samples in vacuo and were performed within two days after heating to prevent water contamination.…”

Section: B Samplesmentioning

confidence: 99%

Direct vibrational energy transfer in zeolites

Brugmans

Bakker

Lagendijk

1996

The Journal of Chemical Physics

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Direct vibrational energy transfer in zeolitesBrugmans, M.J.P.; Bonn, M.; Bakker, H.J.; Lagendijk, A. Published in:Journal of Chemical Physics DOI:10.1063/1.470876 Link to publication Citation for published version (APA):Brugmans, M. J. P., Bonn, M., Bakker, H. J., & Lagendijk, A. (1996). Direct vibrational energy transfer in zeolites. Journal of Chemical Physics, 104, 64-84. DOI: 10.1063/1.470876 General rightsIt is not permitted to download or to forward/distribute the text or part of it without the consent of the author(s) and/or copyright holder(s), other than for strictly personal, individual use, unless the work is under an open content license (like Creative Commons). Disclaimer/Complaints regulationsIf you believe that digital publication of certain material infringes any of your rights or (privacy) interests, please let the Library know, stating your reasons. In case of a legitimate complaint, the Library will make the material inaccessible and/or remove it from the website. Please Ask the Library: http://uba.uva.nl/en/contact, or a letter to: Library of the University of Amsterdam, Secretariat, Singel 425, 1012 WP Amsterdam, The Netherlands. You will be contacted as soon as possible. With two-color picosecond infrared laser spectroscopy the dynamics of O-H and O-D stretch vibrations in zeolites are investigated. Zeolites appear to be good model systems to study transfer of vibrational energy in a solid. For the O-D vibrations, transient spectral holes are burnt in the inhomogeneously broadened absorption bands by saturating the absorption with a strong pump pulse. From the spectral hole widths the homogeneous absorption linewidths are obtained. The excited population lifetimes are determined using a time-resolved pump-probe technique, and in combination with the homogeneous linewidth the pure dephasing time is revealed as well. For high concentrations of O-H oscillators the vibrational stretch excitations are found to diffuse spectrally through the inhomogeneous absorption band. This spectral diffusion process is explained by direct site-to-site transfer of the excitations due to dipole-dipole coupling ͑Förster transfer͒. The dependences of the transient spectral signals on oscillator concentration and the results of one-color polarization resolved experiments confirm this explanation. The spectral transients are satisfactorily described by simulations in which the site-to-site transfer by dipole-dipole coupling is taken into account.

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An in situ Fourier transform infrared studyof zeolitic vibrations: Dehydration, deammoniation, and reammoniation of ion-exchanged Y zeolites

Cited by 64 publications

References 43 publications

Instability of zeolite Y supported cobalt sulfide hydrotreating catalysts in the absence of H2S

Instability of zeolite Y supported cobalt sulfide hydrotreating catalysts in the absence of H2S

Comparison of a combined quantum mechanics/interatomic potential function approach with its periodic quantum-mechanical limit: Proton siting and ammonia adsorption in zeolite chabazite

Direct vibrational energy transfer in zeolites

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