IR studies and DFT quantum chemical calculations concerning interaction of some organic molecules with Cu+ sites in zeolites

Comptes Rendus Chimie

Volumn 8, Issue 3-4, 2005, Pages 491-508

  Broclawik, Ewa ^a   Kozyra, Paweł ^b   Datka, Jerzy ^b  

^a INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

^b JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

Cu+ cations; DFT calculations; IR spectroscopy

Indexed keywords

2 BUTENE; ACETONE; ACETYLENE; ALKENE; BENZENE; BUT 1 ENE; COPPER ION; ETHYLENE; ORGANIC COMPOUND; PROPYLENE; UNCLASSIFIED DRUG; ZEOLITE;

ADSORPTION; BINDING AFFINITY; CALCULATION; CHEMICAL BINDING; CHEMICAL REACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON; ELECTRON TRANSPORT; EXPERIMENTAL DESIGN; INFRARED SPECTROSCOPY; MOLECULAR INTERACTION; OPTICAL ROTATION; QUANTUM CHEMISTRY; REVIEW;

EID: 17544363005     PISSN: 16310748     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.crci.2004.11.010     Document Type: Short Survey

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