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In Situ X-ray Diffraction Investigation of the Crystallisation of Perfluorinated CeIV-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Architectures**

Steve Shearan Orcid Logo, Stephen J. I. Shearan Orcid Logo, Jannick Jacobsen, Ferdinando Costantino Orcid Logo, Roberto D'Amato, Dmitri Novikov Orcid Logo, Norbert Stock Orcid Logo, Enrico Andreoli Orcid Logo, Marco Taddei Orcid Logo

Chemistry – A European Journal, Volume: 27, Issue: 21, Pages: 6579 - 6592

Swansea University Authors: Steve Shearan Orcid Logo, Enrico Andreoli Orcid Logo, Marco Taddei Orcid Logo

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DOI (Published version): 10.1002/chem.202005085

Abstract

We report on the results of an in situ synchrotron powder X‐ray diffraction study of the crystallisation in aqueous medium of two recently discovered perfluorinated CeIV‐based metal–organic frameworks (MOFs), analogues of the already well investigated ZrIV‐based UiO‐66 and MIL‐140A, namely, F4_UiO‐6...

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Published in: Chemistry – A European Journal
ISSN: 0947-6539 1521-3765
Published: Wiley 2021
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URI: https://cronfa.swan.ac.uk/Record/cronfa56462
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spelling 2022-11-24T12:22:22.4757562 v2 56462 2021-03-18 In Situ X-ray Diffraction Investigation of the Crystallisation of Perfluorinated CeIV-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Architectures** feed41db390519dc46cbc1365e86d35f 0000-0002-0605-016X Steve Shearan Steve Shearan true false cbd843daab780bb55698a3daccd74df8 0000-0002-1207-2314 Enrico Andreoli Enrico Andreoli true false 5cffd1038508554d8596dee8b4e51052 0000-0003-2805-6375 Marco Taddei Marco Taddei true false 2021-03-18 MECH We report on the results of an in situ synchrotron powder X‐ray diffraction study of the crystallisation in aqueous medium of two recently discovered perfluorinated CeIV‐based metal–organic frameworks (MOFs), analogues of the already well investigated ZrIV‐based UiO‐66 and MIL‐140A, namely, F4_UiO‐66(Ce) and F4_MIL‐140A(Ce). The two MOFs were originally obtained in pure form in similar conditions, using ammonium cerium nitrate and tetrafluoroterephthalic acid as reagents, and small variations of the reaction parameters were found to yield mixed phases. Here, we investigate the crystallisation of these compounds, varying parameters such as temperature, amount of the protonation modulator nitric acid and amount of the coordination modulator acetic acid. When only HNO3 is present in the reaction environment, only F4_MIL‐140A(Ce) is obtained. Heating preferentially accelerates nucleation, which becomes rate determining below 57 °C. Upon addition of AcOH to the system, alongside HNO3, mixed‐phased products are obtained. F4_UiO‐66(Ce) is always formed faster, and no interconversion between the two phases occurs. In the case of F4_UiO‐66(Ce), crystal growth is always the rate‐determining step. A higher amount of HNO3 favours the formation of F4_MIL‐140A(Ce), whereas increasing the amount of AcOH favours the formation of F4_UiO‐66(Ce). Based on the in situ results, a new optimised route to achieving a pure, high‐quality F4_MIL‐140A(Ce) phase in mild conditions (60 °C, 1 h) is also identified. Journal Article Chemistry – A European Journal 27 21 6579 6592 Wiley 0947-6539 1521-3765 cerium; crystallization; in situ X-ray diffraction; kinetics; metal–organic frameworks 12 4 2021 2021-04-12 10.1002/chem.202005085 COLLEGE NANME Mechanical Engineering COLLEGE CODE MECH Swansea University H2020 Marie Skłodowska-Curie Actions. Grant Number: 663830; Horizon 2020 Framework Programme. Grant Number: 730872; European Regional Development Fund. Grant Numbers: FLEXIS, RICE, 80708; Engineering and Physical Sciences Research Council. Grant Number: EP/M028267/1 2022-11-24T12:22:22.4757562 2021-03-18T09:55:28.6488314 Faculty of Science and Engineering School of Engineering and Applied Sciences - Chemical Engineering Steve Shearan 0000-0002-0605-016X 1 Stephen J. I. Shearan 0000-0002-0605-016x 2 Jannick Jacobsen 3 Ferdinando Costantino 0000-0002-2120-1456 4 Roberto D'Amato 5 Dmitri Novikov 0000-0002-5249-7835 6 Norbert Stock 0000-0002-0339-7352 7 Enrico Andreoli 0000-0002-1207-2314 8 Marco Taddei 0000-0003-2805-6375 9 56462__19509__db2f78644a5045c9824389b857f89208.pdf 56462.pdf 2021-03-19T10:38:12.9107830 Output 4876814 application/pdf Accepted Manuscript true 2022-01-22T00:00:00.0000000 true eng
title In Situ X-ray Diffraction Investigation of the Crystallisation of Perfluorinated CeIV-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Architectures**
spellingShingle In Situ X-ray Diffraction Investigation of the Crystallisation of Perfluorinated CeIV-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Architectures**
Steve Shearan
Enrico Andreoli
Marco Taddei
title_short In Situ X-ray Diffraction Investigation of the Crystallisation of Perfluorinated CeIV-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Architectures**
title_full In Situ X-ray Diffraction Investigation of the Crystallisation of Perfluorinated CeIV-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Architectures**
title_fullStr In Situ X-ray Diffraction Investigation of the Crystallisation of Perfluorinated CeIV-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Architectures**
title_full_unstemmed In Situ X-ray Diffraction Investigation of the Crystallisation of Perfluorinated CeIV-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Architectures**
title_sort In Situ X-ray Diffraction Investigation of the Crystallisation of Perfluorinated CeIV-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Architectures**
author_id_str_mv feed41db390519dc46cbc1365e86d35f
cbd843daab780bb55698a3daccd74df8
5cffd1038508554d8596dee8b4e51052
author_id_fullname_str_mv feed41db390519dc46cbc1365e86d35f_***_Steve Shearan
cbd843daab780bb55698a3daccd74df8_***_Enrico Andreoli
5cffd1038508554d8596dee8b4e51052_***_Marco Taddei
author Steve Shearan
Enrico Andreoli
Marco Taddei
author2 Steve Shearan
Stephen J. I. Shearan
Jannick Jacobsen
Ferdinando Costantino
Roberto D'Amato
Dmitri Novikov
Norbert Stock
Enrico Andreoli
Marco Taddei
format Journal article
container_title Chemistry – A European Journal
container_volume 27
container_issue 21
container_start_page 6579
publishDate 2021
institution Swansea University
issn 0947-6539
1521-3765
doi_str_mv 10.1002/chem.202005085
publisher Wiley
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Chemical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Chemical Engineering
document_store_str 1
active_str 0
description We report on the results of an in situ synchrotron powder X‐ray diffraction study of the crystallisation in aqueous medium of two recently discovered perfluorinated CeIV‐based metal–organic frameworks (MOFs), analogues of the already well investigated ZrIV‐based UiO‐66 and MIL‐140A, namely, F4_UiO‐66(Ce) and F4_MIL‐140A(Ce). The two MOFs were originally obtained in pure form in similar conditions, using ammonium cerium nitrate and tetrafluoroterephthalic acid as reagents, and small variations of the reaction parameters were found to yield mixed phases. Here, we investigate the crystallisation of these compounds, varying parameters such as temperature, amount of the protonation modulator nitric acid and amount of the coordination modulator acetic acid. When only HNO3 is present in the reaction environment, only F4_MIL‐140A(Ce) is obtained. Heating preferentially accelerates nucleation, which becomes rate determining below 57 °C. Upon addition of AcOH to the system, alongside HNO3, mixed‐phased products are obtained. F4_UiO‐66(Ce) is always formed faster, and no interconversion between the two phases occurs. In the case of F4_UiO‐66(Ce), crystal growth is always the rate‐determining step. A higher amount of HNO3 favours the formation of F4_MIL‐140A(Ce), whereas increasing the amount of AcOH favours the formation of F4_UiO‐66(Ce). Based on the in situ results, a new optimised route to achieving a pure, high‐quality F4_MIL‐140A(Ce) phase in mild conditions (60 °C, 1 h) is also identified.
published_date 2021-04-12T04:11:26Z
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score 11.037144

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