Probing [Cu.sup.I]-exchanged zeolite with CO: DFT modeling and experiment
Article Abstract:
The addition of CO on Cu-exchanged zeolite is examined by using quantum chemical calculations based on density functional theory (DFT). The results have shown the strong interaction between the zeolite and the cations and have supported the hypotheses that [Cu.sup.I]Y catalysts behave as a supermolecule.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Solid-state NMR studies of lead-containing zeolites
Article Abstract:
The (super 207)Pb NMR spectra and (super 27)Al-(super 207)Pb double resonance data that is derived from a series of lead containing zeolites is described. The results of double resonance experiments on dehydrated samples yielding Pb-Al distances consistent with respect to X-ray structure are discussed.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
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