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Vibrational Spectroscopy of Zeolites

Theory Versus Experiment
  • Magdalena Król
  • Andrzej Koleżyński
  • Andrzej Mikuła
  • Włodzimierz Mozgawa
Chapter
Part of the Challenges and Advances in Computational Chemistry and Physics book series (COCH, volume 26)

Abstract

In this chapter, the ab initio calculations have been used to analyze the structural properties and vibrational spectra of selected zeolites. The spectra obtained as a result of theoretical calculations along with their interpretation were used to describe the experimental spectra of real zeolite structures. Presented results show that in the experimental spectra of zeolites one can distinguish the bands associated with characteristic vibrations of a bigger element of the structure, composed of tetrahedra, the primary building blocks. It was also shown that the composite envelopes of particular bands are significantly affected by component bands associated with characteristic vibrations of building units that form zeolite structures.

Notes

Acknowledgements

This work was partially supported by the National Science Centre, Poland, under grant No. 2015/17/B/ST8/01200.

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Copyright information

© Springer Nature Switzerland AG 2019

Authors and Affiliations

  • Magdalena Król
    • 1
  • Andrzej Koleżyński
    • 1
  • Andrzej Mikuła
    • 1
  • Włodzimierz Mozgawa
    • 1
  1. 1.Faculty of Materials Science and CeramicsAGH University of Science and TechnologyKrakowPoland

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