Molecular Dynamics Phenomena of Water in the Metalorganic Framework MIL-100(Al), as Revealed by Pulsed Field Gradient NMR and Atomistic Simulation

2017 ◽  
Vol 121 (33) ◽  
pp. 18065-18074 ◽  
Author(s):  
Tobias Splith ◽  
Evangelia Pantatosaki ◽  
Panagiotis D. Kolokathis ◽  
Dominik Fröhlich ◽  
Kang Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Field Gradient ◽  
Atomistic Simulation ◽  
Pulsed Field Gradient Nmr ◽  
Pulsed Field ◽  
Metalorganic Framework

Diffusion of Tetrafluoromethane in Single-Walled Aluminosilicate Nanotubes: Pulsed Field Gradient NMR and Molecular Dynamics Simulations

2012 ◽  
Vol 116 (40) ◽  
pp. 21350-21355 ◽  
Author(s):  
Muslim Dvoyashkin ◽  
Ji Zang ◽  
G. Ipek Yucelen ◽  
Aakanksha Katihar ◽  
Sankar Nair ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Field Gradient ◽  
Pulsed Field Gradient Nmr ◽  
Pulsed Field ◽  
Dynamics Simulations

Controlling Gas Selectivity in Molecular Porous Liquids by Tuning the Cage Window Size

2019 ◽  
Author(s):  
Benjamin Egleston ◽  
Konstantin V. Luzyanin ◽  
Michael C. Brand ◽  
Rob Clowes ◽  
Michael E. Briggs ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Chemical Synthesis ◽  
Field Gradient ◽  
Window Size ◽  
Standard Approach ◽  
Porous Solids ◽  
Pulsed Field Gradient Nmr ◽  
Pulsed Field ◽  
Cage Molecules ◽  
Gas Selectivity

Control of pore window size is the standard approach for tuning gas selectivity in porous solids. Here, we present the first example where this is translated into a molecular porous liquid formed from organic cage molecules. Reduction of the cage window size by chemical synthesis switches the selectivity from Xe-selective to CH<sub>4</sub>-selective, which is understood using <sup>129</sup>Xe, <sup>1</sup>H, and pulsed-field gradient NMR spectroscopy.

Controlling Gas Selectivity in Molecular Porous Liquids by Tuning the Cage Window Size

2019 ◽  
Author(s):  
Benjamin Egleston ◽  
Konstantin V. Luzyanin ◽  
Michael C. Brand ◽  
Rob Clowes ◽  
Michael E. Briggs ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Chemical Synthesis ◽  
Field Gradient ◽  
Window Size ◽  
Standard Approach ◽  
Porous Solids ◽  
Pulsed Field Gradient Nmr ◽  
Pulsed Field ◽  
Cage Molecules ◽  
Gas Selectivity

Control of pore window size is the standard approach for tuning gas selectivity in porous solids. Here, we present the first example where this is translated into a molecular porous liquid formed from organic cage molecules. Reduction of the cage window size by chemical synthesis switches the selectivity from Xe-selective to CH<sub>4</sub>-selective, which is understood using <sup>129</sup>Xe, <sup>1</sup>H, and pulsed-field gradient NMR spectroscopy.

Lithium-ion diffusivity in complex hydrides: Pulsed-field-gradient NMR studies of LiLa(BH4)3Cl, Li3(NH2)2I and Li-1-CB9H10

2021 ◽  
Vol 362 ◽  
pp. 115585
Author(s):  
A.V. Skripov ◽  
G. Majer ◽  
O.A. Babanova ◽  
R.V. Skoryunov ◽  
A.V. Soloninin ◽  
...  
Keyword(s):  
Field Gradient ◽  
Lithium Ion ◽  
Nmr Studies ◽  
Pulsed Field Gradient Nmr ◽  
Pulsed Field ◽  
Complex Hydrides

Influence of Water on Diffusion in Imidazolium-Based Ionic Liquids: A Pulsed Field Gradient NMR study

2009 ◽  
Vol 113 (18) ◽  
pp. 6353-6359 ◽  
Author(s):  
Amrish Menjoge ◽  
JaNeille Dixon ◽  
Joan F. Brennecke ◽  
Edward J. Maginn ◽  
Sergey Vasenkov
Keyword(s):  
Ionic Liquids ◽  
Field Gradient ◽  
Pulsed Field Gradient Nmr ◽  
Pulsed Field ◽  
Nmr Study ◽  
Influence Of Water
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