27Al MQMAS of the δ-Al13-Keggin
作者： C. D. Pilgrim , J. R. Callahan , C. A. Colla , C. A. Ohlin , H. E. Mason
DOI: 10.1039/C6DT04263E
关键词:
摘要: One-dimensional 27Al, 23Na Magic-Angle-Spinning (MAS) NMR and 27Al Multiple-Quantum (MQMAS) measurements are reported for the δ-isomer of Al13 Keggin structure at high spinning speed 14.1 T field. Values CQ η parameters on same scale as those seen in other isomers structure. Density functional theory (DFT) calculations performed comparison to experimental fits using B3PW91/6-31+G* PBE0/6-31+G* levels theory, with Polarizable Continuum Model (PCM).
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