Sub-second pair distribution function using a broad bandwidth monochromator
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Sub-second pair distribution function using a broad bandwidth monochromator. / Magnard, Nicolas P. L.; Sørensen, Daniel R.; Kantor, Innokenty; Jensen, Kirsten M. Ø.; Jørgensen, Mads R. V.
I: Journal of Applied Crystallography, Bind 56, Nr. 3, 01.06.2023, s. 825-833.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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TY - JOUR
T1 - Sub-second pair distribution function using a broad bandwidth monochromator
AU - Magnard, Nicolas P. L.
AU - Sørensen, Daniel R.
AU - Kantor, Innokenty
AU - Jensen, Kirsten M. Ø.
AU - Jørgensen, Mads R. V.
PY - 2023/6/1
Y1 - 2023/6/1
N2 - Here the use of a broad energy bandwidth monochromator, i.e. a pair of B4C/W multilayer mirrors (MLMs), is demonstrated for X-ray total scattering (TS) measurements and pair distribution function (PDF) analysis. Data are collected both on powder samples and from metal oxo clusters in aqueous solution at various concentrations. A comparison between the MLM PDFs and those obtained using a standard Si(111) double-crystal monochromator shows that the measurements yield MLM PDFs of high quality which are suitable for structure refinement. Moreover, the effects of time resolution and concentration on the quality of the resulting PDFs of the metal oxo clusters are investigated. PDFs of heptamolybdate clusters and tungsten α-Keggin clusters from X-ray TS data were obtained with a time resolution down to 3 ms and still showed a similar level of Fourier ripples to PDFs obtained from 1 s measurements. This type of measurement could thus open up faster time-resolved TS and PDF studies.
AB - Here the use of a broad energy bandwidth monochromator, i.e. a pair of B4C/W multilayer mirrors (MLMs), is demonstrated for X-ray total scattering (TS) measurements and pair distribution function (PDF) analysis. Data are collected both on powder samples and from metal oxo clusters in aqueous solution at various concentrations. A comparison between the MLM PDFs and those obtained using a standard Si(111) double-crystal monochromator shows that the measurements yield MLM PDFs of high quality which are suitable for structure refinement. Moreover, the effects of time resolution and concentration on the quality of the resulting PDFs of the metal oxo clusters are investigated. PDFs of heptamolybdate clusters and tungsten α-Keggin clusters from X-ray TS data were obtained with a time resolution down to 3 ms and still showed a similar level of Fourier ripples to PDFs obtained from 1 s measurements. This type of measurement could thus open up faster time-resolved TS and PDF studies.
U2 - 10.1107/S1600576723004016
DO - 10.1107/S1600576723004016
M3 - Journal article
C2 - 37284263
VL - 56
SP - 825
EP - 833
JO - Journal of Applied Crystallography
JF - Journal of Applied Crystallography
SN - 0021-8898
IS - 3
ER -
ID: 359241102