Determination of the Full Pb-207 Chemical Shift Tensor of Anglesite, PbSO4, and Correlation of the Isotropic Shift to Lead-Oxygen Distance in Natural Minerals

Zeman, Otto E. O.; Steinadler, Jennifer; Hochleitner, Rupert und Braeuniger, Thomas (2019): Determination of the Full Pb-207 Chemical Shift Tensor of Anglesite, PbSO4, and Correlation of the Isotropic Shift to Lead-Oxygen Distance in Natural Minerals. In: Crystals, Bd. 9, Nr. 1, 43

Abstract

The full Pb-207 chemical shift (CS) tensor of lead in the mineral anglesite, PbSO4, was determined from orientation-dependent nuclear magnetic resonance (NMR) spectra of a large natural single crystal, using a global fit over two rotation patterns. The resulting tensor is characterised by the reduced anisotropy Delta d = (327 +/- 4) ppm, asymmetry eta(CS) = 0.529 +/- 0.002, and delta(iso) = (-3615 +/- 3) ppm, with the isotropic chemical shift d iso also verified by magic-angle spinning NMR on a polycrystalline sample. The initially unknown orientation of the mounted single crystal was included in the global data fit as well, thus obtaining it from NMR data only. By use of internal crystal symmetries, the amount of data acquisition and processing for determination of the CS tensor and crystal orientation was reduced. Furthermore, a linear correlation between the Pb-207 isotropic chemical shift and the shortest Pb-O distance in the co-ordination sphere of Pb2+ solely surrounded by oxygen has been established for a large database of lead-bearing natural minerals.

• Dokumententyp: Zeitschriftenartikel
• Fakultät: Chemie und Pharmazie > Department Chemie
• Themengebiete: 500 Naturwissenschaften und Mathematik > 540 Chemie
• ISSN: 2073-4352
• Sprache: Englisch