Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Dynamics of isobutane is a sensitive probe for framework breathing in MIL-53 (Al) MOF. / Khudozhitkov, Alexander E.; Arzumanov, Sergei S.; Gabrienko, Anton A. и др.
в: Physical Chemistry Chemical Physics, Том 22, № 33, 07.09.2020, стр. 18695-18702.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Dynamics of isobutane is a sensitive probe for framework breathing in MIL-53 (Al) MOF
AU - Khudozhitkov, Alexander E.
AU - Arzumanov, Sergei S.
AU - Gabrienko, Anton A.
AU - Kolokolov, Daniil I.
AU - Stepanov, Alexander G.
PY - 2020/9/7
Y1 - 2020/9/7
N2 - MIL-53 (Al) is an example of a MOF with a flexible framework featuring a broad range of applications such as hydrocarbon adsorption, separation and catalysis. Such processes are strongly influenced by the flexibility of the framework and thus require monitoring of the interrelation between the guest dynamics and framework breathing events. Here, we demonstrate that breathing of the framework can be monitored by probing the isobutane guest dynamics with2H solid-state nuclear magnetic resonance (2H NMR). We show that a stepwise change in the2H NMR anisotropic line shape to an isotropic one occurs at 253 K, simultaneous with a notable change of the quadrupole coupling constantQAl0of the27Al framework aluminium atom. The stepwise variation ofQAl0is indicative of a breathing event in the MIL-53 (Al) framework structure. Such synchronous change is rationalized in terms of the sharp switch of the guest mobility from anisotropic to isotropic rotation due to the pore expansion upon structural phase transition. It is thus inferred that the dynamics of isobutane confined in the pores represents a very sensitive probe to follow breathing of the MIL-53 (Al) framework with loaded guest molecules.
AB - MIL-53 (Al) is an example of a MOF with a flexible framework featuring a broad range of applications such as hydrocarbon adsorption, separation and catalysis. Such processes are strongly influenced by the flexibility of the framework and thus require monitoring of the interrelation between the guest dynamics and framework breathing events. Here, we demonstrate that breathing of the framework can be monitored by probing the isobutane guest dynamics with2H solid-state nuclear magnetic resonance (2H NMR). We show that a stepwise change in the2H NMR anisotropic line shape to an isotropic one occurs at 253 K, simultaneous with a notable change of the quadrupole coupling constantQAl0of the27Al framework aluminium atom. The stepwise variation ofQAl0is indicative of a breathing event in the MIL-53 (Al) framework structure. Such synchronous change is rationalized in terms of the sharp switch of the guest mobility from anisotropic to isotropic rotation due to the pore expansion upon structural phase transition. It is thus inferred that the dynamics of isobutane confined in the pores represents a very sensitive probe to follow breathing of the MIL-53 (Al) framework with loaded guest molecules.
KW - METAL-ORGANIC FRAMEWORK
KW - SOLID-STATE NMR
KW - TEREPHTHALATE PHENYLENES
KW - HYDROCARBON ADSORPTION
KW - STRUCTURAL TRANSITION
KW - ROTATIONAL-DYNAMICS
KW - PHASE-TRANSITIONS
KW - ZEOLITE ZSM-5
KW - H-2 NMR
KW - CO2
UR - http://www.scopus.com/inward/record.url?scp=85091186899&partnerID=8YFLogxK
U2 - 10.1039/d0cp03271a
DO - 10.1039/d0cp03271a
M3 - Article
AN - SCOPUS:85091186899
VL - 22
SP - 18695
EP - 18702
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
SN - 1463-9076
IS - 33
ER -
ID: 25302630