Dynamics and Proton Conduction of Heterogeneously Confined Imidazole in Porous Coordination Polymers

The nanoconfinement of proton carrier molecules may contribute to the lowing of their proton dissociation energy. However, the free proton transportation does not occur as easily as in liquid due to the restricted molecular motion from surface attraction. To resolve the puzzle, herein, imidazole is...

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Vydáno v:Angewandte Chemie International Edition Ročník 62; číslo 10; s. e202211741 - n/a
Hlavní autoři: Cai, Linkun, Yang, Junsheng, Lai, Yuyan, Liang, Yuling, Zhang, Rongchun, Gu, Cheng, Kitagawa, Susumu, Yin, Panchao
Médium: Journal Article
Jazyk:angličtina
Vydáno: Germany Wiley Subscription Services, Inc 01.03.2023
Vydání:International ed. in English
Témata:
Antifungal agents
Chain dynamics
Coordination polymers
Dynamics
Energy of dissociation
Free energy
Heat of formation
Heterogeneity
Imidazole
Molecular motion
Nanochannels
Nanoconfinement
Polymers
Porous Coordination Polymers
Proton Conduction
Porous Coordination Polymers
Nanoconfinement
Proton Conduction
Dynamics
Imidazole
ISSN:1433-7851, 1521-3773, 1521-3773
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Shrnutí:The nanoconfinement of proton carrier molecules may contribute to the lowing of their proton dissociation energy. However, the free proton transportation does not occur as easily as in liquid due to the restricted molecular motion from surface attraction. To resolve the puzzle, herein, imidazole is confined in the channels of porous coordination polymers with tunable geometries, and their electric/structural relaxations are quantified. Imidazole confined in a square‐shape channels exhibits dynamics heterogeneity of core‐shell‐cylinder model. The core and shell layer possess faster and slower structural dynamics, respectively, when compared to the bulk imidazole. The dimensions and geometry of the nanochannels play an important role in both the shielding of the blocking effect from attractive surfaces and the frustration filling of the internal proton carrier molecules, ultimately contributing to the fast dynamics and enhanced proton conductivity. Imidazole confined in porous coordination polymers’ channels exhibits dynamics heterogeneity of typical core‐shell‐cylinder model, in which the core‐layer possess faster rotating dynamics contributing to enhanced proton conductivity.
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ISSN:1433-7851
1521-3773
1521-3773
DOI:10.1002/anie.202211741