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Information on the principal investigator and host institution

Information of the project and the call

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Active Sites in Zeolites - Characterisation by IR Spectroscopy and Quantum-chemical Calculations

2011/01/B/ST5/00915

Keywords:

zeolites IR spectroscopy quantum chemistry

Descriptors:

  • ST5_6: Porous materials, ceramics, glasses
  • ST4_12: Photochemistry

Panel:

ST5 - Materials: materials synthesis, structure-properties relations, advanced and functional materials with designed properties, (macro)molecular architecture, material engineering

Host institution :

Uniwersytet Jagielloński, Wydział Chemii

woj. małopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Jerzy Datka 

Number of co-investigators in the project: 10

Call: OPUS 1 - announced on 2011-03-15

Amount awarded: 360 000 PLN

Project start date (Y-m-d): 2011-12-12

Project end date (Y-m-d): 2014-12-11

Project duration:: 36 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. Elementy aparatury próżniowej, wyposażenia spektrometru IR, pompy hydrostatycznej, itp (11 992 PLN)
  2. Piec do aktywacji próbek (6 000 PLN)
  3. Komputer wraz z oprogramowaniem i serwisem (4 000 PLN)
  4. Prasa hydrauliczna (30 000 PLN)
  5. Rozbudowa klastra obliczeniowego (50 000 PLN)

Information in the final report

  • Publication in academic press/journals (17)
  • Book publications / chapters in book publications (1)
  1. Accessibility of Acid Sites in Hierarchical Zeolites: Quantitative IR Studies of Pivalonitrile Adsorption
    Authors:
    Karolina Sadowska, Kinga Góra-Marek, Jerzy Datka
    Academic press:
    Journal of Physical Chemistry C (rok: 2013, tom: 117, strony: 9237–9244), Wydawca: ACS Publications
    Status:
    Published
    DOI:
    10.1021/jp400400t - link to the publication
  2. Demonstrating the benefits and pitfalls of various acidity characterization techniques by a case study on bimodal aluminosilicates
    Authors:
    C. J. Van Oers, K. Góra-Marek, B. Prelot, B., J. Datka , V. Meynen, P. Cool
    Academic press:
    Langmuir (rok: 2014, tom: 30, strony: 1880-1887), Wydawca: ACS Publications
    Status:
    Published
    DOI:
    10.1021/la4034194 - link to the publication
  3. Extinction coefficients of C"C and C@C bands in ethyne and ethene molecules interacting with Cu+ and Ag+ in zeolites – IR studies and quantumchemical DFT calculations
    Authors:
    P. Kozyra, K. Góra-Marek, J. Datka
    Academic press:
    Spectrochemica Acta A (rok: 2015, tom: 136, strony: 1988-1992), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.saa.2014.09.027 - link to the publication
  4. On The Nature of Spin- And Orbital-Resolved Cu+-NO Charge Transfer In The Gas Phase And At Cu(I) Sites in Zeolites
    Authors:
    P. Kozyra, M. Radon, J. Datka, E. Broclawik
    Academic press:
    Journal of Structural Chemistry (rok: 2012, tom: 23, strony: 1349-1356), Wydawca: Springer
    Status:
    Published
    DOI:
    10.1007/s11224-012-0050-y - link to the publication
  5. Porosity and accessibility of acid sites in desilicated ZSM-5 zeolites studied using adsorption of probe molecules
    Authors:
    K. Mlekodaj, K. Tarach, J. Datka, K. Góra-Marek, W. Makowski
    Academic press:
    Microporous and Mesoporous Materials (rok: 2014, tom: 183, strony: 54-61), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.micromeso.2013.08.051 - link to the publication
  6. Desilication of highly siliceous zeolite ZSM-5 with NaOH and NaOH/tetrabutylamine hydroxide
    Authors:
    K. Sadowska, K. Góra-Marek, M. Drozdek, P. Kuśtrowskia, J. Datka, J. Martinez Triguero, F. Rey
    Academic press:
    Microporous and Mesoporous Materials (rok: 2013, tom: 168, strony: 195-205), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.micromeso.2012.09.033 - link to the publication
  7. Electronic propensity of Cu(II) versus Cu(I) sites in zeolites to activate NO — Spin- and orbital-resolved Cu–NO electron transfer
    Authors:
    E. Broclawik, M. Radoń, P. Kozyra, A. Stępniewski, J. Datka
    Academic press:
    Canadian Journal of Chemistry (rok: 2013, tom: 91, strony: 538-543), Wydawca: NRC Research Press
    Status:
    Published
    DOI:
    10.1139/cjc-2012-0536 - link to the publication
  8. Fabrication and Catalytic Activity of Thermally Stable Gold Nanoparticles on Ultrastable Y (USY) Zeolites
    Authors:
    Takashi Sanada, Chika Murakami, Kinga Góra-Marek, Keiko Iida, Naonobu Katada, Kazu Okumura
    Academic press:
    Catalysts (rok: 2013, tom: 3, strony: 599-613), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/catal3030599 - link to the publication
  9. Nitric oxide as a non-innocent ligand in (bio-)inorganic complexes: Spin and electron transfer in FeII\NO bond
    Authors:
    E. Broclawik, A. Stępniewski, M. Radoń
    Academic press:
    Journal of Inorganic Biochemistry (rok: 2014, tom: 136, strony: 147-153), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.jinorgbio.2014.01.010 - link to the publication
  10. In situ IR spectroscopic study to reveal the impact of the synthesis conditions of zeolite b nanoparticles on the acidic properties of the resulting zeolite
    Authors:
    C.J. Van Oers, K. Góra-Marek, K. Sadowska, M. Mertens, V. Meynen, J. Datka, P. Cool
    Academic press:
    Chemical Engineering Journal (rok: 2014, tom: 237, strony: 372-379), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.041 - link to the publication
  11. Quantitative IR studies of the concentration of different nickel sites in NiZSM-5 zeolites
    Authors:
    K. Góra-Marek, A. Glanowska, J. Datka
    Academic press:
    Microporous Mesoporous Materials (rok: 2012, tom: 158, strony: 162-169), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.micromeso.2012.03.027 - link to the publication
  12. Spin-Resolved NOCV Analysis of the Zeolite Framework Influence on The Interaction of NO with Cu(I/II) Sites in Zeolites
    Authors:
    P. Kozyra, W. Piskorz
    Academic press:
    Physical Chemistry Chemical Physics , Wydawca: RSC
    Status:
    Submitted
    DOI:
    brak - link to the publication
  13. Ag+ and Cu+ Cations Ligated by Zeolite Environment Enhancing Hydrogen Activation - ETS-NOCV Charge Transfer Analysis
    Authors:
    P. Kozyra, M. Świętek, J. Datka, E. Brocławik
    Academic press:
    The Journal of Computer Chemistry, Japan (rok: 2013, tom: 12, strony: 30-37), Wydawca: Society of Computer Chemistry, Japan
    Status:
    Published
    DOI:
    10.2477/jccj.2012-0015 - link to the publication
  14. C=C, CC and C=O Bond Activation by Coinage Metal Cations in Zeolites: Quantitative Charge Transfer Resolution
    Authors:
    P. Kozyra, E. Broclawik, M. Mitoraj, J. Datka
    Academic press:
    Journal of Physical Chemistry C (rok: 2013, tom: 117, strony: 7511-7518), Wydawca: ACS Publications
    Status:
    Published
    DOI:
    10.1021/jp310251v - link to the publication
  15. Copper sites in zeolites - Quantitative IR studies
    Authors:
    K. Góra-Marek, A.E. Palomares, A. Glanowska, K. Sadowska K., J. Datka
    Academic press:
    Microporous and Mesoporous Materials (rok: 2012, tom: 162, strony: 175-180), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.micromeso.2012.06.029 - link to the publication
  16. Catalytic cracking performance of alkaline-treated zeolite Beta in the terms of acid sites properties and their accessibility
    Authors:
    K. Tarach, K. Góra-Marek, J. Tekla, K. Brylewska, J. Datka, K. Mlekodaj, W. Makowski, M. C. Igualada, J. Martinez-Triguero, F. Rey
    Academic press:
    Journal of Catalysis (rok: 2014, tom: 312, strony: 46-57), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.jcat.2014.01.009 - link to the publication
  17. Ethene and Ethyne Molecules Interacting with Cu+ Sites in Zeolites - IR Quantitative Studies
    Authors:
    K. Tarach, S. Walas, J. Datka, K. Góra-Marek
    Academic press:
    Vibrational Spectroscopy , Wydawca: Elsevier
    Status:
    Submitted
    DOI:
    brak - link to the publication
  1. Acid properties of hierarchical zeolites
    Authors:
    J. Datka, K. Góra-Marek, K. Tarach
    Book:
    Mesoporous Zeolites: Preparation, Characterization and Applications , Wydawca: Wiley VC
    Status:
    Accepted for publication

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