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Sub-second pair distribution function using a broad bandwidth monochromator

Here the use of a broad energy bandwidth monochromator, i.e. a pair of B(4)C/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 solut...

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Autores principales: Magnard, Nicolas P. L., Sørensen, Daniel R., Kantor, Innokenty, Jensen, Kirsten M. Ø., Jørgensen, Mads R. V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10241043/
https://www.ncbi.nlm.nih.gov/pubmed/37284263
http://dx.doi.org/10.1107/S1600576723004016
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author Magnard, Nicolas P. L.
Sørensen, Daniel R.
Kantor, Innokenty
Jensen, Kirsten M. Ø.
Jørgensen, Mads R. V.
author_facet Magnard, Nicolas P. L.
Sørensen, Daniel R.
Kantor, Innokenty
Jensen, Kirsten M. Ø.
Jørgensen, Mads R. V.
author_sort Magnard, Nicolas P. L.
collection PubMed
description Here the use of a broad energy bandwidth monochromator, i.e. a pair of B(4)C/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.
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spelling pubmed-102410432023-06-06 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. J Appl Crystallogr Research Papers Here the use of a broad energy bandwidth monochromator, i.e. a pair of B(4)C/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. International Union of Crystallography 2023-05-31 /pmc/articles/PMC10241043/ /pubmed/37284263 http://dx.doi.org/10.1107/S1600576723004016 Text en © Nicolas Pierre Louis Magnard et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Papers
Magnard, Nicolas P. L.
Sørensen, Daniel R.
Kantor, Innokenty
Jensen, Kirsten M. Ø.
Jørgensen, Mads R. V.
Sub-second pair distribution function using a broad bandwidth monochromator
title Sub-second pair distribution function using a broad bandwidth monochromator
title_full Sub-second pair distribution function using a broad bandwidth monochromator
title_fullStr Sub-second pair distribution function using a broad bandwidth monochromator
title_full_unstemmed Sub-second pair distribution function using a broad bandwidth monochromator
title_short Sub-second pair distribution function using a broad bandwidth monochromator
title_sort sub-second pair distribution function using a broad bandwidth monochromator
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10241043/
https://www.ncbi.nlm.nih.gov/pubmed/37284263
http://dx.doi.org/10.1107/S1600576723004016
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