| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Ashbrook, Sharon. E.
University of St Andrews
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (15/15 displayed)
- 2024Site-directed cation ordering in chabazite-type AlxGa1–xPO4-34 frameworks revealed by NMR crystallographycitations
- 2024In situ single-crystal X-ray diffraction studies of physisorption and chemisorption of SO2 within a metal-organic framework and its competitive adsorption with watercitations
- 202313C pNMR shifts of MOFs based on Cu(II)-paddlewheel dimers - DFT predictions for spin-½ defectscitations
- 2022Synthesis of FeAPO-34 molecular sieve under ionothermal conditioncitations
- 2019Visualization of the effect of additives on the nanostructures of individual bio-inspired calcite crystalscitations
- 201817O solid-state NMR spectroscopy of A2B2O7 oxidescitations
- 2017A gel aging effect in the synthesis of open-framework gallium phosphatescitations
- 2016Phase composition and disorder in La2(Sn,Ti)2O7 ceramicscitations
- 2015New insights into phase distribution, phase composition and disorder in Y2(Zr,Sn)2O7 ceramics from NMR spectroscopycitations
- 2015Peri-substituted phosphorus-tellurium systems – an experimental and theoretical investigation of the P∙∙∙Te through-space interactioncitations
- 2013Color and Brightness Tuning in Heteronuclear Lanthanide Terephthalate Coordination Polymerscitations
- 2013Unusual Phase Behavior in the Piezoelectric Perovskite System, LixNa1-xNbO3citations
- 2013Structural study of La1-xYxScO3, combining neutron diffraction, solid-state NMR, and first-principles DFT calculationscitations
- 2011A co-templating route to the synthesis of Cu SAPO STA-7, giving an active catalyst for the selective catalytic reduction of NOcitations
- 2009Multinuclear Magnetic Resonance and DFT Studies of the Poly(chlorotrifluoroethylene-alt-ethyl vinyl ether) Copolymerscitations
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article
Site-directed cation ordering in chabazite-type AlxGa1–xPO4-34 frameworks revealed by NMR crystallography
Abstract
We report the first synthesis of the mixed-metal chabazite-type Al<sub>x</sub>Ga<sub>1–x</sub>PO<sub>4</sub>-34(mim) solid solution, containing 1- methylimidazolium, mim, as structure directing agent (SDA), from the parent mixed-metal oxide solid solution, γ-(Al<sub>x</sub>Ga<sub>1– x</sub>)<sub>2</sub>O<sub>3</sub>. This hitherto unreported family of materials exhibits complex disorder, arising from the possible distributions of cations over available sites, the orientation of the SDA and the presence of variable amounts of water, which provides a prototype for understanding structural subtleties in nanoporous materials. In the as-made forms of the phosphate frameworks, there are three crystallographically distinct metal sites: two tetrahedral MO<sub>4</sub> and one octahedral MO<sub>4</sub>F2 (M = Al, Ga). A combination of solid-state NMR spectroscopy and periodic DFT calculations reveal that the octahedral site is preferentially occupied by Al and the tetrahedral sites by Ga, leading to a non-random distribution of cations within the framework. Upon calcination to the Al<sub>x</sub>Ga<sub>1–x</sub>PO<sub>4</sub>-34 framework, all metal sites are tetrahedral and crystallographically equivalent in the average R3 symmetry. The cation distribution was explored by <sup>31</sup>P solid-state NMR spectroscopy, and it is shown that the non-random distribution demonstrated to exist in the as-made materials would be expected to give remarkably similar patterns of peak intensities to a random distribution owing to the change in average symmetry in the calcined materials.