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27Al MQMAS of the δ-Al13-Keggin.
- Source :
- Dalton Transactions: An International Journal of Inorganic Chemistry; 2/21/2017, Vol. 46 Issue 7, p2249-2254, 6p
- Publication Year :
- 2017
-
Abstract
- One-dimensional <superscript>27</superscript>Al, <superscript>23</superscript>Na Magic-Angle-Spinning (MAS) NMR and <superscript>27</superscript>Al Multiple-Quantum Magic-Angle-Spinning NMR (MQMAS) measurements are reported for the δ-isomer of the Al<subscript>13</subscript> Keggin structure at high spinning speed and 14.1 T field. Values for the C<subscript>Q</subscript> and η parameters are on the same scale as those seen in other isomers of the Al<subscript>13</subscript> 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). [ABSTRACT FROM AUTHOR]
- Subjects :
- MAGIC angle spinning
KEGGIN anions
Subjects
Details
- Language :
- English
- ISSN :
- 14779226
- Volume :
- 46
- Issue :
- 7
- Database :
- Complementary Index
- Journal :
- Dalton Transactions: An International Journal of Inorganic Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 123332942
- Full Text :
- https://doi.org/10.1039/c6dt04263e