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Combined Theoretical and Experimental Study of the Site-Specificity of Vibrational Dymanics of CO Adsorbed on Monovalent Metal Cations in Zeolites.
Authors: Bludský Ota | Nachtigallová Dana | Bulánek Roman | Nachtigall Petr
Year: 2005
Type of publication: článek v odborném periodiku
Name of source: Studies in Surface Science and Catalysis
Publisher name: Elsevier Science BV
Place: Amsterdam
Page from-to: 625-632
Titles:
Language Name Abstract Keywords
cze xx V tomto příspěvku je diskutována otázka site-specificity CO adsorbovaného na iontech kovů v zeolitických matricích. Na základě experimentálních i teoretických studií jsou diskutovány případy iontů Cu+, Li+ a Na+ v zeolitové matrici FER. Jsou zde diskutovány jednotlivé efekty ovlivnující vibrační frekvenci a jsou zde definovány obecné zákonitosti určující specifičnost vibrací C-O vazby.
eng Combined Theoretical and Experimental Study of the Site-Specificity of Vibrational Dymanics of CO Adsorbed on Monovalent Metal Cations in Zeolites. The question of site-specificity of IR spectra of adsorbed CO molecule on metal ion exchanged zeolites was addressed. The vibrational dynamics of CO adsorbed on Cu+, Li+, and Na+ sites in FER was investigated by the combination of experimental and theoretical methods allowing the calculations of CO frequencies with ?near spectroscopic accuracy?. The details of experimental spectra in the CO stretching region are assigned based on the calculations. The effects contributing to the overall CO stretching are discussed. The general rules for site-specificity of vibrational dynamics of adsorbed probe molecules are suggested. CO molecule, zeolite

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