Pyrrole as a Probe Molecule for Characterization of Alkali-Metal-Exchanged ZSM-5: A Combination of a Theoretical and Experimental Study

Authors

  • J. Kucera Centre of Complex Molecular Systems and Biomolecules, J. Heyrovsky Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Prague
  • P. Nachtigall Centre of Complex Molecular Systems and Biomolecules, J. Heyrovsky Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Prague

Abstract

The pyrrole interaction with alkali metal ions in ZSM-5 was investigated by IR spectroscopy. The interpretation of the IR spectra at low pyrrole coverages is offered based on the theoretical investigation of this system by the QM-pot method. Two peaks corresponding to N-H stretching vibrations observed experimentally (~90 and ~200 cm-1, red-shifted compared with gaseous pyrrole) are due to the formation of H-bonds between the pyrrole N-H and framework oxygen atoms of Si-O-Si and Si-O-Al sequences. A very good agreement between experimental and theoretical results was achieved.

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Published

2003-12-15

How to Cite

Kucera, J., & Nachtigall, P. (2003). Pyrrole as a Probe Molecule for Characterization of Alkali-Metal-Exchanged ZSM-5: A Combination of a Theoretical and Experimental Study. Chemické Listy, 97(11). Retrieved from http://chemicke-listy.cz/ojs3/index.php/chemicke-listy/article/view/2195

Issue

Vol. 97 No. 11 (2003)

Section

Articles