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.

Usage, Chemistry, Physical and theoretical, Physical chemistry, Copper ions

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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.

Spectra, Copper, Structure, Chemical properties

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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.

Carbon

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