Quantitative Dynamics and Structure for Crystalline Cs2WO4 and KMnO4 Determined from High-Field 17O Variable-Temperature MAS NMR Experiments

Hans J. Jakobsen; Henrik Bildsoe; Michael Brorson; Zhehong Gan; Ivan Hung

doi:10.1021/jp505522a

Quantitative Dynamics and Structure for Crystalline Cs₂WO₄ and KMnO₄ Determined from High-Field ¹⁷O Variable-Temperature MAS NMR Experiments

Hans J. Jakobsen^*
, Henrik Bildsoe
, Michael Brorson
, Zhehong Gan
, Ivan Hung

^*Corresponding author for this work

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

12 Citations (Scopus)

Abstract

High-field (21.15 T), low variable-temperature (VT) O-17 MAS NMR spectra of the two tetraoxoanions WO42- and MnO4- in Cs2WO4 and KMnO4, respectively, exhibit highly resolved and quite complex features compared with their singlet appearances observed at room temperature. This study reports some interesting results on the high rotational molecular dynamics for the WO42- and MnO4- anions in the crystalline state for Cs2WO4 and KiMnO(4) determined from low VT O-17 MAS experiments at 21.15 T. O-17 exchange times have been determined from a series of O-17 exchange spectroscopy (ID/2D EXSY) MAS NMR experiments at a variety of low temperatures and with observed exchange times in the range 0.29-233 ms. Activation energies E-a = 60 +/- 2 kJ/mol for the WO42- anion and E-a = 7.3 +/- 0.5 kJ/mol for the MnO4- anion in Cs2WO4 and KMnO4, respectively, have been determined from Arrhenius plots of these O-17 exchange data.

Original language	English
Journal	The Journal of Physical Chemistry Part C
Volume	118
Issue	35
Pages (from-to)	20639-20646
Number of pages	8
ISSN	1932-7447
DOIs	https://doi.org/10.1021/jp505522a
Publication status	Published - 2014

Keywords

ANGLE-SPINNING NMR
SATELLITE TRANSITIONS
QUADRUPOLAR NUCLEI
SPECTRA
SOLIDS

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@article{d5fbe05d15764641940274a726207f08,

title = "Quantitative Dynamics and Structure for Crystalline Cs2WO4 and KMnO4 Determined from High-Field 17O Variable-Temperature MAS NMR Experiments",

abstract = "High-field (21.15 T), low variable-temperature (VT) O-17 MAS NMR spectra of the two tetraoxoanions WO42- and MnO4- in Cs2WO4 and KMnO4, respectively, exhibit highly resolved and quite complex features compared with their singlet appearances observed at room temperature. This study reports some interesting results on the high rotational molecular dynamics for the WO42- and MnO4- anions in the crystalline state for Cs2WO4 and KiMnO(4) determined from low VT O-17 MAS experiments at 21.15 T. O-17 exchange times have been determined from a series of O-17 exchange spectroscopy (ID/2D EXSY) MAS NMR experiments at a variety of low temperatures and with observed exchange times in the range 0.29-233 ms. Activation energies E-a = 60 +/- 2 kJ/mol for the WO42- anion and E-a = 7.3 +/- 0.5 kJ/mol for the MnO4- anion in Cs2WO4 and KMnO4, respectively, have been determined from Arrhenius plots of these O-17 exchange data.",

keywords = "ANGLE-SPINNING NMR, SATELLITE TRANSITIONS, QUADRUPOLAR NUCLEI, SPECTRA, SOLIDS",

author = "Jakobsen, \{Hans J.\} and Henrik Bildsoe and Michael Brorson and Zhehong Gan and Ivan Hung",

year = "2014",

doi = "10.1021/jp505522a",

language = "English",

volume = "118",

pages = "20639--20646",

journal = "The Journal of Physical Chemistry Part C",

issn = "1932-7447",

publisher = "American Chemical Society",

number = "35",

}

Quantitative Dynamics and Structure for Crystalline Cs₂WO₄ and KMnO₄ Determined from High-Field ¹⁷O Variable-Temperature MAS NMR Experiments. / Jakobsen, Hans J.; Bildsoe, Henrik; Brorson, Michael et al.
In: The Journal of Physical Chemistry Part C, Vol. 118, No. 35, 2014, p. 20639-20646.

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

TY - JOUR

T1 - Quantitative Dynamics and Structure for Crystalline Cs2WO4 and KMnO4 Determined from High-Field 17O Variable-Temperature MAS NMR Experiments

AU - Jakobsen, Hans J.

AU - Bildsoe, Henrik

AU - Brorson, Michael

AU - Gan, Zhehong

AU - Hung, Ivan

PY - 2014

Y1 - 2014

N2 - High-field (21.15 T), low variable-temperature (VT) O-17 MAS NMR spectra of the two tetraoxoanions WO42- and MnO4- in Cs2WO4 and KMnO4, respectively, exhibit highly resolved and quite complex features compared with their singlet appearances observed at room temperature. This study reports some interesting results on the high rotational molecular dynamics for the WO42- and MnO4- anions in the crystalline state for Cs2WO4 and KiMnO(4) determined from low VT O-17 MAS experiments at 21.15 T. O-17 exchange times have been determined from a series of O-17 exchange spectroscopy (ID/2D EXSY) MAS NMR experiments at a variety of low temperatures and with observed exchange times in the range 0.29-233 ms. Activation energies E-a = 60 +/- 2 kJ/mol for the WO42- anion and E-a = 7.3 +/- 0.5 kJ/mol for the MnO4- anion in Cs2WO4 and KMnO4, respectively, have been determined from Arrhenius plots of these O-17 exchange data.

AB - High-field (21.15 T), low variable-temperature (VT) O-17 MAS NMR spectra of the two tetraoxoanions WO42- and MnO4- in Cs2WO4 and KMnO4, respectively, exhibit highly resolved and quite complex features compared with their singlet appearances observed at room temperature. This study reports some interesting results on the high rotational molecular dynamics for the WO42- and MnO4- anions in the crystalline state for Cs2WO4 and KiMnO(4) determined from low VT O-17 MAS experiments at 21.15 T. O-17 exchange times have been determined from a series of O-17 exchange spectroscopy (ID/2D EXSY) MAS NMR experiments at a variety of low temperatures and with observed exchange times in the range 0.29-233 ms. Activation energies E-a = 60 +/- 2 kJ/mol for the WO42- anion and E-a = 7.3 +/- 0.5 kJ/mol for the MnO4- anion in Cs2WO4 and KMnO4, respectively, have been determined from Arrhenius plots of these O-17 exchange data.

KW - ANGLE-SPINNING NMR

KW - SATELLITE TRANSITIONS

KW - QUADRUPOLAR NUCLEI

KW - SPECTRA

KW - SOLIDS

U2 - 10.1021/jp505522a

DO - 10.1021/jp505522a

M3 - Journal article

SN - 1932-7447

VL - 118

SP - 20639

EP - 20646

JO - The Journal of Physical Chemistry Part C

JF - The Journal of Physical Chemistry Part C

IS - 35

ER -