Incompletely condensed silasesquioxanes as models for zeolite defect sites: an FTIR and density functional study

Abstract

FTIR hydroxyl vibration bands in highly dealuminated zeolites could be unambiguously assigned to well defined hydroxyl clusters present at defect sites by the use of density functional calculations on incompletely condensed silasesquioxane complexes which, in addition, provided useful spectroscopic references.

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