Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Mobility of Aromatic Guests and Isobutane in ZIF-8 Metal-Organic Framework Studied by 2H Solid State NMR Spectroscopy. / Khudozhitkov, Alexander E.; Arzumanov, Sergei S.; Kolokolov, Daniil I. и др.
в: Journal of Physical Chemistry C, Том 123, № 22, 06.06.2019, стр. 13765-13774.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
}
TY - JOUR
T1 - Mobility of Aromatic Guests and Isobutane in ZIF-8 Metal-Organic Framework Studied by 2H Solid State NMR Spectroscopy
AU - Khudozhitkov, Alexander E.
AU - Arzumanov, Sergei S.
AU - Kolokolov, Daniil I.
AU - Stepanov, Alexander G.
PY - 2019/6/6
Y1 - 2019/6/6
N2 - Metal-organic framework ZIF-8 is renowned for its adsorption and separation properties influenced by the framework flexibility. Although much effort was put into understanding the molecular mechanism of such gate-opening (dynamical and static), the mobility of large guest themselves remained unclear. In this work, we present a detailed 2H solid-state NMR investigation of large guests (xylene isomers, benzene, toluene, and isobutane) confined inside the ZIF-8. Evolution of line shape and T1, T2 relaxation times with temperature were interpreted in terms of existence of three different motional states for diffusing guest molecules: (i) the highly mobile guest molecules located in the central part of the cage; (ii) the bound state for a guest located on the cage wall or near the window; and (iii) the guest squeezing through the window with a subsequent release to the next cage. We report detailed quantitative analysis of molecular dynamics in each of the states and the kinetics of exchange between the bound and mobile states.
AB - Metal-organic framework ZIF-8 is renowned for its adsorption and separation properties influenced by the framework flexibility. Although much effort was put into understanding the molecular mechanism of such gate-opening (dynamical and static), the mobility of large guest themselves remained unclear. In this work, we present a detailed 2H solid-state NMR investigation of large guests (xylene isomers, benzene, toluene, and isobutane) confined inside the ZIF-8. Evolution of line shape and T1, T2 relaxation times with temperature were interpreted in terms of existence of three different motional states for diffusing guest molecules: (i) the highly mobile guest molecules located in the central part of the cage; (ii) the bound state for a guest located on the cage wall or near the window; and (iii) the guest squeezing through the window with a subsequent release to the next cage. We report detailed quantitative analysis of molecular dynamics in each of the states and the kinetics of exchange between the bound and mobile states.
KW - ZEOLITIC IMIDAZOLATE FRAMEWORKS
KW - DEUTERIUM NMR
KW - SEPARATION
KW - ADSORPTION
KW - CO2
KW - DIFFUSION
KW - MIXTURES
KW - DYNAMICS
KW - TEMPERATURE
KW - ADSORBENTS
UR - http://www.scopus.com/inward/record.url?scp=85067125793&partnerID=8YFLogxK
U2 - 10.1021/acs.jpcc.9b03081
DO - 10.1021/acs.jpcc.9b03081
M3 - Article
AN - SCOPUS:85067125793
VL - 123
SP - 13765
EP - 13774
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
SN - 1932-7447
IS - 22
ER -
ID: 20587613