71Ga Chemical Shielding and Quadrupole Coupling Tensors of the Garnet Y(3)Ga(5)O(12) from Single-Crystal (71)Ga NMR

Thomas Vosegaard; Dominique Massiot; Nathalie Gautier; Hans J. Jakobsen

doi:10.1021/ic970012u

71Ga Chemical Shielding and Quadrupole Coupling Tensors of the Garnet Y(3)Ga(5)O(12) from Single-Crystal (71)Ga NMR

Thomas Vosegaard, Dominique Massiot, Nathalie Gautier, Hans J. Jakobsen

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Abstract

A single-crystal (71)Ga NMR study of the garnet Y(3)Ga(5)O(12) (YGG) has resulted in the determination of the first chemical shielding tensors reported for the (71)Ga quadrupole. The single-crystal spectra are analyzed in terms of the combined effect of quadrupole coupling and chemical shielding anisotropy (CSA). (71)Ga quadrupole coupling and CSA parameters for the two (tetrahedrally and octahedrally coordinated) gallium sites with axial symmetry in YGG (Ga(IV), C(Q) = 13.1 +/- 0.2 MHz and delta(sigma) = 54 +/- 50 ppm; Ga(VI), C(Q) = 4.10 +/- 0.06 MHz and delta(sigma) = 24 +/- 3 ppm) are fully consistent with its cubic crystal structure which supports the reliability of the experimental data. In addition, the (71)Ga and (27)Al isotropic chemical shifts for YGG and YAG give further support to the linear correlation observed earlier between (71)Ga and (27)Al isotropic chemical shifts.

Original language	English
Journal	Inorganic Chemistry
Volume	36
Issue	11
Pages (from-to)	2446-2450
Number of pages	5
ISSN	0974-746X
DOIs	https://doi.org/10.1021/ic970012u
Publication status	Published - 1997

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@article{2bcc1f44250547b9afd88cd06c1311ac,

title = "71Ga Chemical Shielding and Quadrupole Coupling Tensors of the Garnet Y(3)Ga(5)O(12) from Single-Crystal (71)Ga NMR",

abstract = "A single-crystal (71)Ga NMR study of the garnet Y(3)Ga(5)O(12) (YGG) has resulted in the determination of the first chemical shielding tensors reported for the (71)Ga quadrupole. The single-crystal spectra are analyzed in terms of the combined effect of quadrupole coupling and chemical shielding anisotropy (CSA). (71)Ga quadrupole coupling and CSA parameters for the two (tetrahedrally and octahedrally coordinated) gallium sites with axial symmetry in YGG (Ga(IV), C(Q) = 13.1 +/- 0.2 MHz and delta(sigma) = 54 +/- 50 ppm; Ga(VI), C(Q) = 4.10 +/- 0.06 MHz and delta(sigma) = 24 +/- 3 ppm) are fully consistent with its cubic crystal structure which supports the reliability of the experimental data. In addition, the (71)Ga and (27)Al isotropic chemical shifts for YGG and YAG give further support to the linear correlation observed earlier between (71)Ga and (27)Al isotropic chemical shifts.",

author = "Thomas Vosegaard and Dominique Massiot and Nathalie Gautier and Jakobsen, {Hans J.}",

year = "1997",

doi = "10.1021/ic970012u",

language = "English",

volume = "36",

pages = "2446--2450",

journal = "Inorganic Chemistry",

issn = "0974-746X",

publisher = "Trade Science, Inc.",

number = "11",

}

71Ga Chemical Shielding and Quadrupole Coupling Tensors of the Garnet Y(3)Ga(5)O(12) from Single-Crystal (71)Ga NMR. / Vosegaard, Thomas; Massiot, Dominique; Gautier, Nathalie et al.
In: Inorganic Chemistry, Vol. 36, No. 11, 1997, p. 2446-2450.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

TY - JOUR

T1 - 71Ga Chemical Shielding and Quadrupole Coupling Tensors of the Garnet Y(3)Ga(5)O(12) from Single-Crystal (71)Ga NMR

AU - Vosegaard, Thomas

AU - Massiot, Dominique

AU - Gautier, Nathalie

AU - Jakobsen, Hans J.

PY - 1997

Y1 - 1997

N2 - A single-crystal (71)Ga NMR study of the garnet Y(3)Ga(5)O(12) (YGG) has resulted in the determination of the first chemical shielding tensors reported for the (71)Ga quadrupole. The single-crystal spectra are analyzed in terms of the combined effect of quadrupole coupling and chemical shielding anisotropy (CSA). (71)Ga quadrupole coupling and CSA parameters for the two (tetrahedrally and octahedrally coordinated) gallium sites with axial symmetry in YGG (Ga(IV), C(Q) = 13.1 +/- 0.2 MHz and delta(sigma) = 54 +/- 50 ppm; Ga(VI), C(Q) = 4.10 +/- 0.06 MHz and delta(sigma) = 24 +/- 3 ppm) are fully consistent with its cubic crystal structure which supports the reliability of the experimental data. In addition, the (71)Ga and (27)Al isotropic chemical shifts for YGG and YAG give further support to the linear correlation observed earlier between (71)Ga and (27)Al isotropic chemical shifts.

AB - A single-crystal (71)Ga NMR study of the garnet Y(3)Ga(5)O(12) (YGG) has resulted in the determination of the first chemical shielding tensors reported for the (71)Ga quadrupole. The single-crystal spectra are analyzed in terms of the combined effect of quadrupole coupling and chemical shielding anisotropy (CSA). (71)Ga quadrupole coupling and CSA parameters for the two (tetrahedrally and octahedrally coordinated) gallium sites with axial symmetry in YGG (Ga(IV), C(Q) = 13.1 +/- 0.2 MHz and delta(sigma) = 54 +/- 50 ppm; Ga(VI), C(Q) = 4.10 +/- 0.06 MHz and delta(sigma) = 24 +/- 3 ppm) are fully consistent with its cubic crystal structure which supports the reliability of the experimental data. In addition, the (71)Ga and (27)Al isotropic chemical shifts for YGG and YAG give further support to the linear correlation observed earlier between (71)Ga and (27)Al isotropic chemical shifts.

U2 - 10.1021/ic970012u

DO - 10.1021/ic970012u

M3 - Journal article

C2 - 11669884

SN - 0974-746X

VL - 36

SP - 2446

EP - 2450

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 11

ER -

71Ga Chemical Shielding and Quadrupole Coupling Tensors of the Garnet Y(3)Ga(5)O(12) from Single-Crystal (71)Ga NMR

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