Eur. Phys. J. Special Topics 224, 1769-1773 (2015)
https://doi.org/10.1140/epjst/e2015-02497-4

Regular Article

¹⁴N NMR of tetrapropylammonium based crystals

ICGM-MACS, UMR 5253 CNRS-ENSCM-UM2-UM1, Institut Charles Gerhardt de Montpellier, 8 rue de l'Ecole normale, 34296 Montpellier Cedex 5, France

Received: 19 November 2014
Revised: 21 May 2015
Published online: 30 July 2015

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.