Characterization of the Two Rubidium Sites in Rb2CrO4 by 87Rb Single-Crystal NMR

Thomas Vosegaard; Inger P. Byriel; Hans J. Jakobsen

doi:10.1021/jp9720247

Characterization of the Two Rubidium Sites in Rb₂CrO₄ by ⁸⁷Rb Single-Crystal NMR

Thomas Vosegaard, Inger P. Byriel, Hans J. Jakobsen

Department of Chemistry

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

19 Citations (Scopus)

Abstract

The two crystallographically distinct sites in Rb₂CrO₄ are characterized in terms of their ⁸⁷Rb quadrupole coupling and chemical shielding anisotropy (CSA) interactions employing ⁸⁷Rb single-crystal NMR. Accurate values for the quadrupole coupling and CSA parameters are reported for both rubidium sites along with the direction cosines describing the orientation of the tensors for the NMR interactions with respect to the Rb₂CrO₄ crystal frame. The parameters for site 1 represent the first accurate investigation of this site, while the parameters for site 2 compare excellently with those previously reported. Some remarkable similarities are observed between the present parameters for Rb₂CrO₄ and the ¹³³Cs parameters determined from recent magicangle spinning and single-crystal ¹³³Cs NMR studies for the isomorphous Cs₂CrO₄.

Original language	English
Journal	Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical
Volume	101
Issue	44
Pages (from-to)	8955-8958
Number of pages	4
ISSN	1089-5647
DOIs	https://doi.org/10.1021/jp9720247
Publication status	Published - 1997

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@article{4965e8341c6345c78825be81c7e87c79,

title = "Characterization of the Two Rubidium Sites in Rb2CrO4 by 87Rb Single-Crystal NMR",

abstract = "The two crystallographically distinct sites in Rb2CrO4 are characterized in terms of their 87Rb quadrupole coupling and chemical shielding anisotropy (CSA) interactions employing 87Rb single-crystal NMR. Accurate values for the quadrupole coupling and CSA parameters are reported for both rubidium sites along with the direction cosines describing the orientation of the tensors for the NMR interactions with respect to the Rb2CrO4 crystal frame. The parameters for site 1 represent the first accurate investigation of this site, while the parameters for site 2 compare excellently with those previously reported. Some remarkable similarities are observed between the present parameters for Rb2CrO4 and the 133Cs parameters determined from recent magicangle spinning and single-crystal 133Cs NMR studies for the isomorphous Cs2CrO4.",

author = "Thomas Vosegaard and Byriel, {Inger P.} and Jakobsen, {Hans J.}",

year = "1997",

doi = "10.1021/jp9720247",

language = "English",

volume = "101",

pages = "8955--8958",

journal = "Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical",

issn = "1089-5647",

publisher = "American Chemical Society",

number = "44",

}

Characterization of the Two Rubidium Sites in Rb₂CrO₄ by ⁸⁷Rb Single-Crystal NMR. / Vosegaard, Thomas; Byriel, Inger P.; Jakobsen, Hans J.
In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 101, No. 44, 1997, p. 8955-8958.

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

TY - JOUR

T1 - Characterization of the Two Rubidium Sites in Rb2CrO4 by 87Rb Single-Crystal NMR

AU - Vosegaard, Thomas

AU - Byriel, Inger P.

AU - Jakobsen, Hans J.

PY - 1997

Y1 - 1997

N2 - The two crystallographically distinct sites in Rb2CrO4 are characterized in terms of their 87Rb quadrupole coupling and chemical shielding anisotropy (CSA) interactions employing 87Rb single-crystal NMR. Accurate values for the quadrupole coupling and CSA parameters are reported for both rubidium sites along with the direction cosines describing the orientation of the tensors for the NMR interactions with respect to the Rb2CrO4 crystal frame. The parameters for site 1 represent the first accurate investigation of this site, while the parameters for site 2 compare excellently with those previously reported. Some remarkable similarities are observed between the present parameters for Rb2CrO4 and the 133Cs parameters determined from recent magicangle spinning and single-crystal 133Cs NMR studies for the isomorphous Cs2CrO4.

AB - The two crystallographically distinct sites in Rb2CrO4 are characterized in terms of their 87Rb quadrupole coupling and chemical shielding anisotropy (CSA) interactions employing 87Rb single-crystal NMR. Accurate values for the quadrupole coupling and CSA parameters are reported for both rubidium sites along with the direction cosines describing the orientation of the tensors for the NMR interactions with respect to the Rb2CrO4 crystal frame. The parameters for site 1 represent the first accurate investigation of this site, while the parameters for site 2 compare excellently with those previously reported. Some remarkable similarities are observed between the present parameters for Rb2CrO4 and the 133Cs parameters determined from recent magicangle spinning and single-crystal 133Cs NMR studies for the isomorphous Cs2CrO4.

U2 - 10.1021/jp9720247

DO - 10.1021/jp9720247

M3 - Journal article

AN - SCOPUS:0031244941

SN - 1089-5647

VL - 101

SP - 8955

EP - 8958

JO - Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical

JF - Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical

IS - 44

ER -

Characterization of the Two Rubidium Sites in Rb2CrO4 by 87Rb Single-Crystal NMR

Abstract

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Characterization of the Two Rubidium Sites in Rb₂CrO₄ by ⁸⁷Rb Single-Crystal NMR