Probing the Dynamics of the Porous Zr Terephthalate UiO-66 Framework Using 2H NMR and Neutron Scattering Научная публикация
Журнал |
The Journal of Physical Chemistry C
ISSN: 1932-7447 , E-ISSN: 1932-7455 |
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Вых. Данные | Год: 2012, Том: 116, Номер: 22, Страницы: 12131-12136 Страниц : 6 DOI: 10.1021/jp3029193 | ||||||||
Ключевые слова | Activation energy; Benzene; Carboxylation; Dynamics; Java programming language; Neutron scattering | ||||||||
Авторы |
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Организации |
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Информация о финансировании (3)
1 | Российский фонд фундаментальных исследований | 09-03-93113 |
2 | Российский фонд фундаментальных исследований | 12-03-00316 |
3 | European Commission | 228862 FP7-NMP-2008-LARGE-2 MACADEMIA |
Реферат:
2H NMR and quasi-elastic neutron scattering techniques have been used to study the rotational dynamics of the 1,4-benzene-dicarboxylate (BDC) linkers in the porous cubic UiO-66(Zr) metal−organic framework (MOF). The rotation of the benzene rings in the BDC linkers is at the limit of detection of the neutron technique, but it fits perfectly on the 2H NMR time scale. The aromatic rings in the UiO-66 framework exhibit the lowest rotational barrier compared to other MOFs, the activation energy for π-flips being 30 kJ mol−1. However, instead of having well-defined flipping rates like in MOF-5, MIL-47, or MIL-53, UiO-66(Zr) shows a distribution of flipping correlation times, probably due to local disorder in the structure. Because of the rotational motion of the benzene rings, the effective size of the microporous windows in UiO-66(Zr) appears to be temperature dependent.
Библиографическая ссылка:
Kolokolov D.I.
, Stepanov A.G.
, Guillerm V.
, Serre C.
, Frick B.
, Jobic H.
Probing the Dynamics of the Porous Zr Terephthalate UiO-66 Framework Using 2H NMR and Neutron Scattering
The Journal of Physical Chemistry C. 2012. V.116. N22. P.12131-12136. DOI: 10.1021/jp3029193 WOS Scopus РИНЦ CAPlusCA OpenAlex
Probing the Dynamics of the Porous Zr Terephthalate UiO-66 Framework Using 2H NMR and Neutron Scattering
The Journal of Physical Chemistry C. 2012. V.116. N22. P.12131-12136. DOI: 10.1021/jp3029193 WOS Scopus РИНЦ CAPlusCA OpenAlex
Даты:
Поступила в редакцию: | 27 мар. 2012 г. |
Принята к публикации: | 14 мая 2012 г. |
Опубликована online: | 22 мая 2012 г. |
Опубликована в печати: | 7 июн. 2012 г. |
Идентификаторы БД:
Web of science: | WOS:000304888700033 |
Scopus: | 2-s2.0-84861959022 |
РИНЦ: | 17989705 |
Chemical Abstracts: | 2012:695347 |
Chemical Abstracts (print): | 156:683310 |
OpenAlex: | W2330955531 |