Determination of the 207Pb Chemical Shift Tensor in Crocoite, PbCrO4, Using Single-Crystal NMR Spectroscopy

Kläger, Sebastian; Zeman, Otto E. O.; Bräuniger, Thomas

doi:10.3390/cryst15050480

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Determination of the ²⁰⁷Pb Chemical Shift Tensor in Crocoite, PbCrO₄, Using Single-Crystal NMR Spectroscopy

by

Sebastian Kläger

,

Otto E. O. Zeman

^† and

Thomas Bräuniger

^*

Department of Chemistry, University of Munich (LMU), Butenandtstr. 5–13, 81377 Munich, Germany

^*

Author to whom correspondence should be addressed.

^†

Current address: Siltronic AG, 84489 Burghausen, Germany.

Crystals 2025, 15(5), 480; https://doi.org/10.3390/cryst15050480

Submission received: 26 March 2025 / Revised: 13 May 2025 / Accepted: 18 May 2025 / Published: 19 May 2025

(This article belongs to the Section Inorganic Crystalline Materials)

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Abstract

The full chemical shift tensor of

^{207}

Pb (spin

I = 1 / 2

) in the natural mineral crocoite, PbCrO

_{4}

, has been determined using single-crystal NMR spectroscopy at room temperature. The eigenvalues of the tensor in its principal axes system are

δ_{11} = - 2720 \pm 2

ppm,

δ_{22} = - 2319 \pm 4

ppm, and

δ_{33} = - 1830 \pm 5

ppm, resulting in an isotropic chemical shift of

δ_{iso} = - 2289 \pm 2

ppm. Additionally, these values were verified using a Herzfeld–Berger analysis of a polycrystalline sample under magic-angle spinning (MAS) conditions.

Keywords: 207Pb-NMR; chemical shift tensor; PbCrO4; crocoite; single crystal

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MDPI and ACS Style

Kläger, S.; Zeman, O.E.O.; Bräuniger, T. Determination of the ²⁰⁷Pb Chemical Shift Tensor in Crocoite, PbCrO₄, Using Single-Crystal NMR Spectroscopy. Crystals 2025, 15, 480. https://doi.org/10.3390/cryst15050480

AMA Style

Kläger S, Zeman OEO, Bräuniger T. Determination of the ²⁰⁷Pb Chemical Shift Tensor in Crocoite, PbCrO₄, Using Single-Crystal NMR Spectroscopy. Crystals. 2025; 15(5):480. https://doi.org/10.3390/cryst15050480

Chicago/Turabian Style

Kläger, Sebastian, Otto E. O. Zeman, and Thomas Bräuniger. 2025. "Determination of the ²⁰⁷Pb Chemical Shift Tensor in Crocoite, PbCrO₄, Using Single-Crystal NMR Spectroscopy" Crystals 15, no. 5: 480. https://doi.org/10.3390/cryst15050480

APA Style

Kläger, S., Zeman, O. E. O., & Bräuniger, T. (2025). Determination of the ²⁰⁷Pb Chemical Shift Tensor in Crocoite, PbCrO₄, Using Single-Crystal NMR Spectroscopy. Crystals, 15(5), 480. https://doi.org/10.3390/cryst15050480

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Determination of the ²⁰⁷Pb Chemical Shift Tensor in Crocoite, PbCrO₄, Using Single-Crystal NMR Spectroscopy

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