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Location and orientation of adsorbed molecules in zeolites from solid-state REAPDOR NMR

Proposed for presentation at the

Holland, Gregory P.; Alam, Todd M.

The use of rotational echo adiabatic passage double resonance (REAPDOR) solid-state nuclear magnetic resonance (NMR) to determine the site location of an adsorbed polar molecule in a zeolite cage is presented. Nitrogen-15 labeled ammonia is used as a probe molecule to characterize the initial adsorption site in 3A zeolite molecular sieves. The relative position of the ammonia adsorption site in the cage is determined by measuring the internuclear distance between the N on ammonia and both a Na cation site and an Al framework environment using {sup 15}N/{sup 23}Na and {sup 15}N/{sup 27}Al REAPDOR NMR experiments, respectively. The measured internuclear distances are similar to a specific ammonia adsorption site for the zeolite 4A ammonia sorption complex located using X-ray diffraction. Additional details regarding the ammonia hydrogen-bonding environment can be extracted from {sup 1}H/{sup 23}Na and {sup 1}H/{sup 27}Al REAPDOR NMR measurements.

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Quantification of ammonia binding sites in Davison (Type 3A) zeolite desiccant : a solid-state Nitrogen-15 MAS NMR spectroscopy investigation

Alam, Todd M.; Alam, Todd M.; Holland, Gregory P.; Cherry, Brian R.

The quantitative analysis of ammonia binding sites in the Davison (Type 3A) zeolite desiccant using solid-state {sup 15}N MAS NMR spectroscopy is reported. By utilizing 15N enriched ammonia ({sup 15}NH{sub 3}) gas, the different adsorption/binding sites within the zeolite were investigated as a function of NH{sub 3} loading. Using {sup 15}N MAS NMR multiple sites were resolved that have distinct cross-polarization dynamics and chemical shift behavior. These differences in the {sup 15}N NMR were used to characterize the adsorption environments in both the pure 3A zeolite and the silicone-molded forms of the desiccant.

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4 Results
4 Results