Coordination change of Cu+ sites in ZSM-5 excitation in the triplet state: understanding of the photoluminescence spectra
Article Abstract:
Research is presented demonstrating the use of a combined quantum mechanics/interatomic potential function technique to study the emission and excitation energy produced from the transition between the 3d94s1 triplet and 3d10 singlet states of Cu+ ions in ZSM-5.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
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Computational study of extraframework Cu(super +) sites in ferrierite: structure, coordination, and photoluminescence spectra
Article Abstract:
The structure and coordination of Cu(super +) ion in ferrierite and Cu(super +) in the ZSM-5 zeolite are composed. The results obtained for the Cu(super+) ferrierite system are compared with those previously obtained for the differences in catalytic activity along with an explanation for the differences in catalytic activity are presented.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
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Characterization of the Cu(super +1) sites in high-silica zeolites interacting with the CO molecule: combined computational and experimental study
Article Abstract:
This study presents the results of the combined quantum mechanical/interatomic potential function of the carbon and oxygen bond interaction with copper in silica zeolites. The results are confirmed by the experiments carried out for the zeolite matrices.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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