화학공학소재연구정보센터
Journal of Physical Chemistry, Vol.98, No.48, 12679-12686, 1994
Local-Mode Analysis of Complex Zeolite Vibrations - Zeolite-A
We have used the group theoretical method developed in the previous work to analyze the framework vibrations of zeolite-A. Zeolite-A has been chosen because of its structural similarity with sodalite, the subject of the preceding work, and because numerous attempts have already been made to relate its framework vibrations to structural elements. As in the case of sodalite normal modes, we find that a majority of the normal modes can be uniquely assigned to local structural features, namely, the secondary building units. There is a high degree of transferability between the 4-ring local modes in sodalite and zeolite-A. We also find good agreement with the normal mode assignments made by others to the framework vibrations in the mid-infrared frequency region of the IR and Raman spectrum.