Research output: Contribution to journal › Article › peer-review
Peter J. Byrne, John E. Warren, Russell E. Morris, Sharon Elizabeth Ashbrook
A multi-technique investigation involving X-ray diffraction, solid-state NMR and first-principle calculations was carried out on the aluminophosphate material AlPO4-15. A synchrotron X-ray single-crystal diffraction study was carried out on the same sample as that used in solid-state NMR studies. The model from the single crystal study, together with a model from a literature high resolution study of the same material, was used as starting points for the first-principles calculations of the NMR parameters. This enabled the P-31 and Al-27 NMR spectra to be unambiguously assigned and all the NMR parameters calculated agreed well with the experimental spectra even without relaxing the X-ray derived structural models. (C) 2009 Elsevier Masson SAS. All rights reserved.
Original language | English |
---|---|
Pages (from-to) | 1001-1006 |
Number of pages | 6 |
Journal | Solid State Sciences |
Volume | 11 |
Issue number | 5 |
DOIs | |
Publication status | Published - May 2009 |
Additional links |
Discover related content
Find related publications, people, projects and more using interactive charts.
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
ID: 2823109