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A high-resolution natural abundance 33S MAS NMR study of the cementitious mineral ettringite

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A high-resolution natural abundance 33S MAS NMR study of the cementitious mineral ettringite. / Sasaki, Akiko; Ibarra, Luis Baquerizo; Wimperis, Stephen.
In: Physical Chemistry Chemical Physics, Vol. 19, No. 35, 21.09.2017, p. 24082-24089.

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Sasaki, A, Ibarra, LB & Wimperis, S 2017, 'A high-resolution natural abundance 33S MAS NMR study of the cementitious mineral ettringite', Physical Chemistry Chemical Physics, vol. 19, no. 35, pp. 24082-24089. https://doi.org/10.1039/C7CP04435F

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Vancouver

Sasaki A, Ibarra LB, Wimperis S. A high-resolution natural abundance 33S MAS NMR study of the cementitious mineral ettringite. Physical Chemistry Chemical Physics. 2017 Sept 21;19(35):24082-24089. Epub 2017 Aug 22. doi: 10.1039/C7CP04435F

Author

Sasaki, Akiko ; Ibarra, Luis Baquerizo ; Wimperis, Stephen. / A high-resolution natural abundance 33S MAS NMR study of the cementitious mineral ettringite. In: Physical Chemistry Chemical Physics. 2017 ; Vol. 19, No. 35. pp. 24082-24089.

Bibtex

@article{8af507d34d2d4686b173857a9cb37d07,
title = "A high-resolution natural abundance 33S MAS NMR study of the cementitious mineral ettringite",
abstract = "Despite the widespread occurrence of sulfur in both natural and man-made materials, the 33S nucleus has only rarely been utilised in solid-state NMR spectroscopy on account of its very low natural abundance (0.76%), low NMR frequency (ν0 = 30.7 MHz at B0 = 9.4 T), and significant nuclear quadrupole moment (spin I = 3/2, Q = −69.4 mb). Satellite-transition magic angle spinning (STMAS) is an NMR method for obtaining high-resolution spectra of half-integer quadrupolar nuclei (spin I > 1/2) in solids and is notable for its intrinsic sensitivity advantage over the similar multiple-quantum (MQMAS) method, especially for nuclei with low NMR frequencies. In this work we demonstrate the feasibility of natural abundance 33S STMAS NMR experiments at B0 = 9.4 T and 20.0 T using a model sulfate sample (Na2SO4 + K2SO4 in a 1 : 1 molar ratio). Furthermore, we undertake a natural abundance 33S STMAS NMR study of the cement-forming mineral ettringite (Ca6Al2(SO4)3(OH)12·26H2O) at B0 = 9.4 T and 20.0 T, resolving a discrepancy in the literature between two previous conventional 33S MAS NMR studies and obtaining an alternative set of 33S NMR parameters that is simultaneously consistent with the MAS and STMAS data at both field strengths.",
keywords = "NMR, MAS, sulfur, cement, ettringite, 335",
author = "Akiko Sasaki and Ibarra, {Luis Baquerizo} and Stephen Wimperis",
year = "2017",
month = sep,
day = "21",
doi = "10.1039/C7CP04435F",
language = "English",
volume = "19",
pages = "24082--24089",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "35",

}

RIS

TY - JOUR

T1 - A high-resolution natural abundance 33S MAS NMR study of the cementitious mineral ettringite

AU - Sasaki, Akiko

AU - Ibarra, Luis Baquerizo

AU - Wimperis, Stephen

PY - 2017/9/21

Y1 - 2017/9/21

N2 - Despite the widespread occurrence of sulfur in both natural and man-made materials, the 33S nucleus has only rarely been utilised in solid-state NMR spectroscopy on account of its very low natural abundance (0.76%), low NMR frequency (ν0 = 30.7 MHz at B0 = 9.4 T), and significant nuclear quadrupole moment (spin I = 3/2, Q = −69.4 mb). Satellite-transition magic angle spinning (STMAS) is an NMR method for obtaining high-resolution spectra of half-integer quadrupolar nuclei (spin I > 1/2) in solids and is notable for its intrinsic sensitivity advantage over the similar multiple-quantum (MQMAS) method, especially for nuclei with low NMR frequencies. In this work we demonstrate the feasibility of natural abundance 33S STMAS NMR experiments at B0 = 9.4 T and 20.0 T using a model sulfate sample (Na2SO4 + K2SO4 in a 1 : 1 molar ratio). Furthermore, we undertake a natural abundance 33S STMAS NMR study of the cement-forming mineral ettringite (Ca6Al2(SO4)3(OH)12·26H2O) at B0 = 9.4 T and 20.0 T, resolving a discrepancy in the literature between two previous conventional 33S MAS NMR studies and obtaining an alternative set of 33S NMR parameters that is simultaneously consistent with the MAS and STMAS data at both field strengths.

AB - Despite the widespread occurrence of sulfur in both natural and man-made materials, the 33S nucleus has only rarely been utilised in solid-state NMR spectroscopy on account of its very low natural abundance (0.76%), low NMR frequency (ν0 = 30.7 MHz at B0 = 9.4 T), and significant nuclear quadrupole moment (spin I = 3/2, Q = −69.4 mb). Satellite-transition magic angle spinning (STMAS) is an NMR method for obtaining high-resolution spectra of half-integer quadrupolar nuclei (spin I > 1/2) in solids and is notable for its intrinsic sensitivity advantage over the similar multiple-quantum (MQMAS) method, especially for nuclei with low NMR frequencies. In this work we demonstrate the feasibility of natural abundance 33S STMAS NMR experiments at B0 = 9.4 T and 20.0 T using a model sulfate sample (Na2SO4 + K2SO4 in a 1 : 1 molar ratio). Furthermore, we undertake a natural abundance 33S STMAS NMR study of the cement-forming mineral ettringite (Ca6Al2(SO4)3(OH)12·26H2O) at B0 = 9.4 T and 20.0 T, resolving a discrepancy in the literature between two previous conventional 33S MAS NMR studies and obtaining an alternative set of 33S NMR parameters that is simultaneously consistent with the MAS and STMAS data at both field strengths.

KW - NMR

KW - MAS

KW - sulfur

KW - cement

KW - ettringite

KW - 335

U2 - 10.1039/C7CP04435F

DO - 10.1039/C7CP04435F

M3 - Journal article

VL - 19

SP - 24082

EP - 24089

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 35

ER -