Crystal structure of an ethylene sorption complex of fully vacuum-dehydrated fully Ag (super +)- exchanged zeolite X (FAU). Silver atoms have reduced ethylene to give CH(sub 2)(super 2-) carbanions at framework oxide vacancies

Article Abstract:

The crystal structure of an ethylene sorption complex of fully vacuum-dehydrated fully Ag(Super +)-exchanged zeolite X (FAU), a = 24.865(2) degree A, was determined by single crystal X-ray diffraction techniques in the cubic space group Fd3 bar at 21 degree C. The ethylene molecule makes two electrostatic hydrogen bonds to framework oxygen atoms and ethylene has also oxidized surface silver atoms to give the carbanions CH(sub 2)(super 2-) which occupies some of the lattice vacancies originally occupied by oxide ions.

Cyclic Crude and Intermediate Manufacturing, Ethylene, Silver compounds, Sorption

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Hybrid quantum chemical and density functional theory (ONIOM) study of the acid sites in zeolite ZSM-5

Article Abstract:

Hybrid quantum chemical and density functional theory (ONIOM) method was used to model the properties of the acid sites of zeolite ZSM-5. The analysis of experimental infrared (IR) and (super 1)H nuclear magnetic resonance (NMR) spectra suggests that the experimentally observable mean acidity of zeolite ZSM-5 is dependent on temperature.

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Density functional theory study of chemical composition influence on the activity of H-MCM-22 zeolite

Article Abstract:

The study investigated the influence of the chemical composition on the acidity of the isomorphously substitute MCM-22 zeolite by density functional theory. It concluded that the acidity of MCM-22 zeolite decreased with the increasing number of trivalent substitution atoms introduced into the zeolite framework.

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