Abstract
We have investigated using 14N NMR different types of materials containing tetrapropylammonium cations. We consider the tetrapropylammonium bromide crystal as well as two different microporous materials silicalite-1 and AlPO-5, with MFI and AFI topology respectively, where the tetrapropylammonium cation plays the role of structure directing agent. 14N NMR quadrupolar coupling parameters were determined experimentally for all the crystals. In addition calculations based on Density Functional Theory with empirical dispersion (DFT-D) were performed on the MFI type zeolite. The sensitivity of the 14N quadrupolar coupling parameters to the spatial distribution of the anions in the zeolite’s framework is emphasized.
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