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Separation of isotropic chemical and second-order quadrupolar shifts by multiple-quantum double rotation NMR

Research output: Contribution to Journal/Magazine › Journal article › peer-review

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Separation of isotropic chemical and second-order quadrupolar shifts by multiple-quantum double rotation NMR. / Hung, Ivan; Wong, Alan; Howes, Andy P. et al.
In: Journal of Magnetic Resonance, Vol. 197, No. 2, 01.04.2009, p. 229-236.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Hung, I, Wong, A, Howes, AP, Anupõld, T, Samoson, A, Smith, ME, Holland, D, Brown, SP & Dupree, R 2009, 'Separation of isotropic chemical and second-order quadrupolar shifts by multiple-quantum double rotation NMR', Journal of Magnetic Resonance, vol. 197, no. 2, pp. 229-236. https://doi.org/10.1016/j.jmr.2009.01.005

APA

Hung, I., Wong, A., Howes, A. P., Anupõld, T., Samoson, A., Smith, M. E., Holland, D., Brown, S. P., & Dupree, R. (2009). Separation of isotropic chemical and second-order quadrupolar shifts by multiple-quantum double rotation NMR. Journal of Magnetic Resonance, 197(2), 229-236. https://doi.org/10.1016/j.jmr.2009.01.005

Vancouver

Hung I, Wong A, Howes AP, Anupõld T, Samoson A, Smith ME et al. Separation of isotropic chemical and second-order quadrupolar shifts by multiple-quantum double rotation NMR. Journal of Magnetic Resonance. 2009 Apr 1;197(2):229-236. doi: 10.1016/j.jmr.2009.01.005

Author

Hung, Ivan ; Wong, Alan ; Howes, Andy P. et al. / Separation of isotropic chemical and second-order quadrupolar shifts by multiple-quantum double rotation NMR. In: Journal of Magnetic Resonance. 2009 ; Vol. 197, No. 2. pp. 229-236.

Bibtex

@article{71bc75ab04bb41fe80b2206fa628c924,
title = "Separation of isotropic chemical and second-order quadrupolar shifts by multiple-quantum double rotation NMR",
abstract = "Using a two-dimensional multiple-quantum (MQ) double rotation (DOR) experiment the contributions of the chemical shift and quadrupolar interaction to isotropic resonance shifts can be completely separated. Spectra were acquired using a three-pulse triple-quanturn z-filtered pulse sequence and Subsequently sheared along both the nu(1) and nu(2) dimensions. The application of this method is demonstrated for both crystalline (RbNO3) and amorphous samples (vitreous B2O3). The existence of the two rubidium isotopes (Rb-85 and Rb-87) allows comparison of results for two nuclei with different spins (I = 3/2 and 5/2), as well as different dipole and quadrupole moments in a single chemical compound. Being only limited by homogeneous line broadening and sample crystallinity, linewidths of approximately 0.1 and 0.2 ppm can be measured for Rb-87 in the quadrupolar and chemical shift dimensions, enabling highly accurate determination of the isotropic chemical shift and the quadrupolar product, P-Q. For vitreous B2O3, the use of MQDOR allows the chemical shift and electric field gradient distributions to be directly determined-information that is difficult to obtain otherwise due to the presence of second-order quadrupolar broadening. (C) 2009 Elsevier Inc. All rights reserved.",
keywords = "Solid-state NMR, Double rotation, Multiple-quantum, Spectral shearing, Quadrupolar interaction, Chemical shift",
author = "Ivan Hung and Alan Wong and Howes, {Andy P.} and Tiit Anup{\~o}ld and Ago Samoson and Smith, {Mark E.} and D. Holland and Brown, {Steven P.} and Ray Dupree",
year = "2009",
month = apr,
day = "1",
doi = "10.1016/j.jmr.2009.01.005",
language = "English",
volume = "197",
pages = "229--236",
journal = "Journal of Magnetic Resonance",
issn = "1096-0856",
publisher = "Academic Press Inc.",
number = "2",

}

RIS

TY - JOUR

T1 - Separation of isotropic chemical and second-order quadrupolar shifts by multiple-quantum double rotation NMR

AU - Hung, Ivan

AU - Wong, Alan

AU - Howes, Andy P.

AU - Anupõld, Tiit

AU - Samoson, Ago

AU - Smith, Mark E.

AU - Holland, D.

AU - Brown, Steven P.

AU - Dupree, Ray

PY - 2009/4/1

Y1 - 2009/4/1

N2 - Using a two-dimensional multiple-quantum (MQ) double rotation (DOR) experiment the contributions of the chemical shift and quadrupolar interaction to isotropic resonance shifts can be completely separated. Spectra were acquired using a three-pulse triple-quanturn z-filtered pulse sequence and Subsequently sheared along both the nu(1) and nu(2) dimensions. The application of this method is demonstrated for both crystalline (RbNO3) and amorphous samples (vitreous B2O3). The existence of the two rubidium isotopes (Rb-85 and Rb-87) allows comparison of results for two nuclei with different spins (I = 3/2 and 5/2), as well as different dipole and quadrupole moments in a single chemical compound. Being only limited by homogeneous line broadening and sample crystallinity, linewidths of approximately 0.1 and 0.2 ppm can be measured for Rb-87 in the quadrupolar and chemical shift dimensions, enabling highly accurate determination of the isotropic chemical shift and the quadrupolar product, P-Q. For vitreous B2O3, the use of MQDOR allows the chemical shift and electric field gradient distributions to be directly determined-information that is difficult to obtain otherwise due to the presence of second-order quadrupolar broadening. (C) 2009 Elsevier Inc. All rights reserved.

AB - Using a two-dimensional multiple-quantum (MQ) double rotation (DOR) experiment the contributions of the chemical shift and quadrupolar interaction to isotropic resonance shifts can be completely separated. Spectra were acquired using a three-pulse triple-quanturn z-filtered pulse sequence and Subsequently sheared along both the nu(1) and nu(2) dimensions. The application of this method is demonstrated for both crystalline (RbNO3) and amorphous samples (vitreous B2O3). The existence of the two rubidium isotopes (Rb-85 and Rb-87) allows comparison of results for two nuclei with different spins (I = 3/2 and 5/2), as well as different dipole and quadrupole moments in a single chemical compound. Being only limited by homogeneous line broadening and sample crystallinity, linewidths of approximately 0.1 and 0.2 ppm can be measured for Rb-87 in the quadrupolar and chemical shift dimensions, enabling highly accurate determination of the isotropic chemical shift and the quadrupolar product, P-Q. For vitreous B2O3, the use of MQDOR allows the chemical shift and electric field gradient distributions to be directly determined-information that is difficult to obtain otherwise due to the presence of second-order quadrupolar broadening. (C) 2009 Elsevier Inc. All rights reserved.

KW - Solid-state NMR, Double rotation, Multiple-quantum, Spectral shearing, Quadrupolar interaction, Chemical shift

U2 - 10.1016/j.jmr.2009.01.005

DO - 10.1016/j.jmr.2009.01.005

M3 - Journal article

VL - 197

SP - 229

EP - 236

JO - Journal of Magnetic Resonance

JF - Journal of Magnetic Resonance

SN - 1096-0856

IS - 2

ER -