### Abstract

We introduce a new two-dimensional nuclear quadrupole resonance experiment, in which the first time period (t_{1}) is the duration of the radiofrequency exciting pulse; and the second (t_{2}) is the normal free precession of a quadrupolar nucleus at zero field. After double Fourier transformation, the result is a 2D spectrum in which the first frequency dimension is the nutation spectrum for the quadrupolar nucleus at zero field. For single crystals, this spectrum contains harrow lines, whose frequency, for axially symmetric tensors, is proportional to sin θ, where θ is the angle between the unique axis of the quadrupolar tensor and that of the transmitter/receiver coil. For polycrystalline samples we obtain powder line shapes which are reminiscent of high-field nuclear magnetic resonance (NMR) powder patterns, and which allow determination of the asymmetry parameter η, which has previously only been obtainable using Zeeman perturbed nuclear quadrupole resonance (NQR) methods. Both theoretical spectra and several experimental examples are presented.

Original language | English (US) |
---|---|

Pages (from-to) | 5292-5298 |

Number of pages | 7 |

Journal | The Journal of Chemical Physics |

Volume | 90 |

Issue number | 10 |

DOIs | |

State | Published - Jan 1 1989 |

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### ASJC Scopus subject areas

- Physics and Astronomy(all)
- Physical and Theoretical Chemistry

### Cite this

*The Journal of Chemical Physics*,

*90*(10), 5292-5298. https://doi.org/10.1063/1.456433

**Two-dimensional zero-field nutation nuclear quadrupole resonance spectroscopy.** / Harbison, Gerard S.; Slokenbergs, Andris; Barbara, Thomas M.

Research output: Contribution to journal › Article

*The Journal of Chemical Physics*, vol. 90, no. 10, pp. 5292-5298. https://doi.org/10.1063/1.456433

}

TY - JOUR

T1 - Two-dimensional zero-field nutation nuclear quadrupole resonance spectroscopy

AU - Harbison, Gerard S.

AU - Slokenbergs, Andris

AU - Barbara, Thomas M.

PY - 1989/1/1

Y1 - 1989/1/1

N2 - We introduce a new two-dimensional nuclear quadrupole resonance experiment, in which the first time period (t1) is the duration of the radiofrequency exciting pulse; and the second (t2) is the normal free precession of a quadrupolar nucleus at zero field. After double Fourier transformation, the result is a 2D spectrum in which the first frequency dimension is the nutation spectrum for the quadrupolar nucleus at zero field. For single crystals, this spectrum contains harrow lines, whose frequency, for axially symmetric tensors, is proportional to sin θ, where θ is the angle between the unique axis of the quadrupolar tensor and that of the transmitter/receiver coil. For polycrystalline samples we obtain powder line shapes which are reminiscent of high-field nuclear magnetic resonance (NMR) powder patterns, and which allow determination of the asymmetry parameter η, which has previously only been obtainable using Zeeman perturbed nuclear quadrupole resonance (NQR) methods. Both theoretical spectra and several experimental examples are presented.

AB - We introduce a new two-dimensional nuclear quadrupole resonance experiment, in which the first time period (t1) is the duration of the radiofrequency exciting pulse; and the second (t2) is the normal free precession of a quadrupolar nucleus at zero field. After double Fourier transformation, the result is a 2D spectrum in which the first frequency dimension is the nutation spectrum for the quadrupolar nucleus at zero field. For single crystals, this spectrum contains harrow lines, whose frequency, for axially symmetric tensors, is proportional to sin θ, where θ is the angle between the unique axis of the quadrupolar tensor and that of the transmitter/receiver coil. For polycrystalline samples we obtain powder line shapes which are reminiscent of high-field nuclear magnetic resonance (NMR) powder patterns, and which allow determination of the asymmetry parameter η, which has previously only been obtainable using Zeeman perturbed nuclear quadrupole resonance (NQR) methods. Both theoretical spectra and several experimental examples are presented.

UR - http://www.scopus.com/inward/record.url?scp=36549092026&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=36549092026&partnerID=8YFLogxK

U2 - 10.1063/1.456433

DO - 10.1063/1.456433

M3 - Article

AN - SCOPUS:36549092026

VL - 90

SP - 5292

EP - 5298

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 10

ER -