Formaldehyde activation by Cu(I) and Ag(I) sites in ZSM-5: ETS-NOCV analysis of charge transfer processes

Catalysis Today

Volumn 169, Issue 1, 2011, Pages 45-51

  Broclawik, E ^a   Zalucka J ^b   Kozyra, P ^b   Mitoraj, M ^b   Datka, J ^b  

^a INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

^b JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

Cu(I) and Ag(I) sites in MFI; Electron density transfer channels; ETS NOCV analysis; Formaldehyde activation; QM MM modeling

Indexed keywords

ANTIBONDING ORBITAL; BACK-DONATION; CARBONYL OXYGEN; CHARGE TRANSFER PROCESS; COORDINATE BONDS; D ORBITALS; DENSITY FLOW; ELECTRON DENSITIES; ETS-NOCV ANALYSIS; LONE PAIR; METAL SITES; QM/MM MODELING;

ADSORPTION; CARBONYLATION; CARRIER CONCENTRATION; CHARGE TRANSFER; ELECTRON DENSITY MEASUREMENT; FORMALDEHYDE; ION EXCHANGE; METAL ANALYSIS; METALS; POSITIVE IONS; SILVER COMPOUNDS;

ACTIVATION ANALYSIS;

EID: 79958146801     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2010.08.020     Document Type: Article

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