Biaxial Q-shearing of 27Al 3QMAS NMR spectra: insight into the structural disorder of framework aluminosilicates

Solid State Nuclear Magnetic Resonance
Libor KoberaMartina Urbanova

Abstract

In this contribution, we present the application potentiality of biaxial Q-shearing of (27)Al 3QMAS NMR spectra in the analysis of structural defects of aluminium units in aluminosilicates. This study demonstrates that the combination of various shearing transformations of the recorded (27)Al 3QMAS NMR spectra enables an understanding of the broadening processes of the correlation signals of disordered framework aluminosilicates, for which a wide distribution of (27)Al MAS NMR chemical shifts and quadrupolar parameters (i.e., second-order quadrupolar splitting and quadrupole-induced chemical shifts) can be expected. By combining the suitably selected shearing transformation procedures, the mechanisms of the formation of local defects in aluminosilicate frameworks, including Al/Si substitution effects in the next-nearest neighbouring T-sites, variations in bond angles, and/or variations in the physicochemical nature of charge-balancing counter-ions, can be identified. The proposed procedure has been extensively tested on a range of model aluminosilicate materials (kyanite, γ-alumina, metakaolin, analcime, chabazite, natrolite, phillipsite, mordenite, zeolite A, and zeolite Y).

References

Nov 1, 1996·Journal of Magnetic Resonance. Series a·J P AmoureuxS Steuernagel
Sep 27, 2008·Chemical Reviews·Berend Smit, Theo L M Maesen
Jul 18, 2009·Journal of Magnetic Resonance·John D Gehman, John L Provis
Sep 8, 2009·Journal of Magnetic Resonance·Ivan HungZhehong Gan

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Citations

Sep 21, 2021·Dalton Transactions : an International Journal of Inorganic Chemistry·Brant WalkleyJohn L Provis

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