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- W1567809042 abstract "The use of solid-state NMR to obtain crystallographically important information about inorganic materials is discussed in this article. It is particularly useful for providing space-group information since the number of sites and their occupancy is readily determined from the 1-D spectrum while their connectivity can be obtained from 2-D NMR experiments. In addition, distance information can sometimes be obtained, particularly for spin 1/2 nuclei. Application of NMR to determine the location of guest molecules in zeolites is described. First-principles calculations are now able to calculate the NMR parameters quite precisely in systems where the crystal structure is accurately known and this ability is now beginning to be inverted, i.e., if the calculation gives incorrect NMR parameters, the structure is modified to produce agreement between calculation and experiment. Some examples are given, as well as illustrations of the fact that, in many cases, the NMR parameters are more sensitive than the powder diffraction pattern to small variations in the structure. Although most crystallographically related work on inorganic materials has been carried out using spin 1/2 nuclei, particularly 29Si and 31P, many other nuclei have been used and among these 17O has considerable promise. Several examples illustrating its potential are given." @default.
- W1567809042 created "2016-06-24" @default.
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- W1567809042 date "2009-09-15" @default.
- W1567809042 modified "2023-09-27" @default.
- W1567809042 title "Crystallography and NMR: Applications to Inorganic and Materials Chemistry" @default.
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- W1567809042 doi "https://doi.org/10.1002/9780470034590.emrstm1060" @default.
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