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|Type:||Artigo de evento|
|Title:||Cu-mcm-22 Zeolite: A Combined X-ray Powder Diffraction And Computational Study Of The Local Structure Of Extra-framework Copper Ions|
|Abstract:||Local structure and site distribution of extra-framework copper ions in Cu-exchanged MCM-22 zeolite have been determined by synchrotron radiation X-ray powder diffraction analysis combined with ab-initio molecular orbital (DFT) calculations. Three Cu sites (SI, SuII and S III) in 6-membered rings and one site (SVI) in a 5-membered ring close to the inter lamellar region, were located inside the MCM-22 supercage, whereas no Cu ions were found within the sinusoidal channels. The existence of two families of Cu sites (in 5- and 6-membered rings respectively) with different steric hindrance and adsorptive capacity, as indicated by previous FTIR study of adsorbed NO [A. Frache, et al., Langmuir, 18 (2002) 6875], was fully confirmed in this study. © 2005 Elsevier B. V. All rights reserved.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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