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Issue 7, 2017
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27Al MQMAS of the δ-Al13-Keggin

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One-dimensional 27Al, 23Na Magic-Angle-Spinning (MAS) NMR and 27Al Multiple-Quantum Magic-Angle-Spinning NMR (MQMAS) measurements are reported for the δ-isomer of the Al13 Keggin structure at high spinning speed and 14.1 T field. Values for the CQ and η parameters are on the same scale as those seen in other isomers of the Al13 structure. Density functional theory (DFT) calculations are performed for comparison to the experimental fits using the B3PW91/6-31+G* and PBE0/6-31+G* levels of theory, with the Polarizable Continuum Model (PCM).

Graphical abstract: 27Al MQMAS of the δ-Al13-Keggin

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The article was received on 08 Nov 2016, accepted on 19 Jan 2017 and first published on 20 Jan 2017

Article type: Paper
DOI: 10.1039/C6DT04263E
Citation: Dalton Trans., 2017,46, 2249-2254
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    27Al MQMAS of the δ-Al13-Keggin

    C. D. Pilgrim, J. R. Callahan, C. A. Colla, C. A. Ohlin, H. E. Mason and W. H. Casey, Dalton Trans., 2017, 46, 2249
    DOI: 10.1039/C6DT04263E

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