NMR Spectroscopy of Natural and Synthetic Single Crystals

• Sebastian Kläger, Otto E. O. Zeman, Thomas Bräuniger, “Determination of the ²⁰⁷Pb chemical shift tensor in crocoite, PbCrO₄, using single-crystal NMR spectroscopy” (open access), Crystals 15, 480 (2025)
• Otto E. O. Zeman, Thomas Bräuniger, “Quantifying the quadrupolar interaction by ⁴⁵Sc-NMR spectroscopy of single crystals”, Solid State Nuclear Magnetic Resonance 117, 101775 (2022)
• Otto E. O. Zeman, Jennifer Steinadler, Rupert Hochleitner, Thomas Bräuniger, “Characterisation of contact twinning for cerussite, PbCO₃, by single-crystal NMR spectroscopy” (open access), Physics and Chemistry of Minerals 48, 40 (2021)
• Otto E. O. Zeman, Rupert Hochleitner, Wolfgang W. Schmahl, Konstantin Karaghiosoff, Thomas Bräuniger, “Relationship between ²⁰⁷Pb chemical shift and the morphology and crystal structure for the apatites Pb₅(AO₄)₃Cl, vanadinite (A=V), pyromorphite (A=P), and mimetite (A=As)”, American Mineralogist 106, 541-548 (2021)
• Otto E. O. Zeman, Viktoria Kainz, Thomas Bräuniger, “Single-Crystal ³¹P and ⁷Li NMR of the Ionic Conductor LiH₂PO₄” (open access), Crystals 10, 302 (2020)
• Otto E. O. Zeman, Igor L. Moudrakovski, Carsten Hartmann, Sylvio Indris, Thomas Bräuniger, “Local electronic structure in AlN studied by single-crystal ²⁷Al and ¹⁴N NMR and DFT calculations” (open access), Molecules 25, 469 (2020) -- part of a Special Issue on Solid-State NMR in Materials Chemistry
• Otto E. O. Zeman, Jennifer Steinadler, Rupert Hochleitner, Thomas Bräuniger, “Single crystal ²⁰⁷Pb-NMR of wulfenite, PbMO₄, aided by simultaneous measurement of phosgenite, Pb₂Cl₂CO₃”, Solid State Nuclear Magnetic Resonance 103, 17-24 (2019)
• Otto E. O. Zeman, Jennifer Steinadler, Rupert Hochleitner, Thomas Bräuniger, “Determination of the full ²⁰⁷Pb chemical shift tensor of anglesite, PbSO₄, and correlation of the isotropic shift to lead-oxygen distance in natural minerals” (open access), Crystals 9, 43 (2019) -- part of a Special Issue on NMR Crystallography
• Otto E. O. Zeman, Constantin Hoch, Rupert Hochleitner, Thomas Bräuniger, “NMR interaction tensors of ⁵¹V and ²⁰⁷Pb in vanadinite, Pb₅(VO₄)₃Cl, determined from DFT calculations and single-crystal NMR measurements, using only one general rotation axis”, Solid State Nuclear Magnetic Resonance 89, 11-20 (2018)
• Otto E. O. Zeman, Igor L. Moudrakovski, Constantin Hoch, Rupert Hochleitner, Wolfgang W. Schmahl, Konstantin Karaghiosoff, Thomas Bräuniger, “Determination of the ³¹P and ²⁰⁷Pb chemical shift tensors in Pyromorphite, Pb₅(PO₄)₃Cl, by single-crystal NMR measurements and DFT calculations”, Zeitschrift für Anorganische und Allgemeine Chemie 643, 1635-1641 (2017)
• Thomas Bräuniger, Burkhard Groh, Igor L. Moudrakovski, Sylvio Indris, “Local electronic structure in γ-LiAlO₂ studied by single-crystal ²⁷Al-NMR and DFT calculations”, Journal of Physical Chemistry A 120, 7839-7846 (2016)