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Chemometric analysis of diffuse reflectance spectra of Co2+-exchanged zeolites: spectroscopic fingerprinting of coordination environments

By A.A. Verberckmoes, B.M. Weckhuysen, R.A. Schoonheydt, K. Ooms and I. Langhans


A new method for spectroscopic fingerprinting of the coordination environments of Co2+ in zeolites is proposed and discussed. The method is based on the application of different chemometric techniques (curve fitting, Principal Component Analysis (PCA) and SIMPLe-to-use Interactive Self-Modeling Analysis (SIMPLISMA)) on a series of diffuse reflectance (DR) spectra of Co2+-exchanged zeolites dehydrated at 400º and 500°C. Two Co2+ species were determined for CoA and\ud assigned to trigonal and pseudo-tetrahedral coordination of Co2+ at the hexagonal windows of six oxygens. Three components\ud were determined for CoX and COY two of them are similar to those of zeolite A; the third one is ascribed to pseudooctahedral Co2+ in the hexagonal prisms

Topics: Scheikunde, DRS, Cobalt, SIMPLISMA
Year: 1997
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