Lattice vibrational calculation of A-type zeolite using the pseudolattice method

Kyoung Tai No, Dong Han Bae, Mu Shik Jhon

Research output: Contribution to journalArticle

34 Citations (Scopus)

Abstract

The lattice vibrational calculation of A-type zeolite was performed with the pseudolattice (PL) method. The vibrational spectra obtained from experiments were assigned by using calculated vibrational frequencies and modes. The internal and external modes were redefined from their dynamical vectors and the slope of frequencies vs. Al/(Si + Al) ratio. Most of the calculated frequencies and normal modes are in good agreement with the observed vibrational spectra in the region of 1200-250 cm-1.

Original languageEnglish
Pages (from-to)1772-1780
Number of pages9
JournalJournal of physical chemistry
Volume90
Issue number9
DOIs
Publication statusPublished - 1986

All Science Journal Classification (ASJC) codes

  • Engineering(all)
  • Physical and Theoretical Chemistry

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