Solvent exchange in a metal–organic framework single crystal monitored by dynamicin situX-ray diffraction

2017 ◽  
Vol 73 (4) ◽  
pp. 669-674 ◽  
Author(s):  
Jordan M. Cox ◽  
Ian M. Walton ◽  
Gage Bateman ◽  
Cassidy A. Benson ◽  
Travis Mitchell ◽  
...  
Keyword(s):  
Rational Design ◽  
Metal Organic Framework ◽  
X Ray Diffraction ◽  
Guest Molecules ◽  
Time Resolved ◽  
Ethanol Solvate ◽  
Significant Step ◽  
Metal Organic ◽  
Flexible Metal ◽  
Organic Framework

Understanding the processes by which porous solid-state materials adsorb and release guest molecules would represent a significant step towards developing rational design principles for functional porous materials. To elucidate the process of liquid exchange in these materials, dynamicin situX-ray diffraction techniques have been developed which utilize liquid-phase chemical stimuli. Using these time-resolved diffraction techniques, the ethanol solvation process in a flexible metal–organic framework [Co(AIP)(bpy)0.5(H2O)]·2H2O was examined. The measurements provide important insight into the nature of the chemical transformation in this system including the presence of a previously unreported neat ethanol solvate structure.

Synthesis and Structure of a Clathrated Two-Dimensional Metal-Organic Framework: [Cd(4,4'-bpy)2(H2O)2](ClO4)2·(L)2·H2O (L = Bis(1-pyrazinylethylidene)hydrazine)

2008 ◽  
Vol 73 (1) ◽  
pp. 24-31
Author(s):  
Dayu Wu ◽  
Genhua Wu ◽  
Wei Huang ◽  
Zhuqing Wang
Keyword(s):  
Metal Organic Framework ◽  
Channel Structure ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Guest Molecules ◽  
X Ray ◽  
Square Planar ◽  
Metal Organic ◽  
Aqueous Meoh ◽  
Organic Framework

The compound [Cd(4,4'-bpy)2(H2O)2](ClO4)2·(L)2 was obtained by the reaction of Cd(ClO4)2, bis(1-pyrazinylethylidene)hydrazine (L) and 4,4'-bipyridine in aqueous MeOH. Single-crystal X-ray diffraction has revealed its two-dimensional metal-organic framework. The 2-D layers superpose on each other, giving a channel structure. The square planar grids consist of two pairs of shared edges with Cd(II) ion and a 4,4'-bipyridine molecule each vertex and side, respectively. The square cavity has a dimension of 11.817 × 11.781 Å. Two guest molecules of bis(1-pyrazinylethylidene)hydrazine are clathrated in every hydrophobic host cavity, being further stabilized by π-π stacking and hydrogen bonding. The results suggest that the hydrazine molecules present in the network serve as structure-directing templates in the formation of crystal structures.

scholarly journals Exceptional adsorption-induced cluster and network deformation in the flexible metal–organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS

2015 ◽  
Vol 17 (26) ◽  
pp. 17471-17479 ◽  
Author(s):  
Volodymyr Bon ◽  
Nicole Klein ◽  
Irena Senkovska ◽  
Andreas Heerwig ◽  
Jürgen Getzschmann ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
X Ray Diffraction ◽  
X Ray ◽  
Gate Opening ◽  
Metal Organic ◽  
Flexible Metal ◽  
Organic Framework

The “gate opening” mechanism in flexible MOF Ni2(2,6-ndc)2dabco was elucidated in detail.

A Highly Flexible Metal-Organic Framework Constructed from Asymmetric Flexible Linkers and Heptanuclear Zinc Carboxylate Secondary Building Units and its Anisotropic Dynamic Responses Exhibited During Guest Removal and Single Crystal Coordinated Solvent Exchange

2019 ◽  
Author(s):  
Elliot J Carrington ◽  
Rémi Pétuya ◽  
Rebecca K Hylton ◽  
Yong Yan ◽  
Dmytro Antypov ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Structural Response ◽  
Dynamic Responses ◽  
Solvent Exchange ◽  
Void Space ◽  
Guest Molecules ◽  
Secondary Building Units ◽  
Metal Organic ◽  
Flexible Metal ◽  
Organic Framework

<p>A new porous and flexible metal-organic framework (MOF) has been synthesised from the flexible asymmetric linker N-(4-Carboxyphenyl)succinamate (CSA) and heptanuclear zinc oxo-clusters of formula [Zn<sub>7</sub>O<sub>2</sub>(Carboxylate)<sub>10</sub>DMF<sub>2</sub>] involving two coordinated terminal DMF ligands. The structural response of this MOF to the removal or exchange of its guest molecules has been probed using a combination of experimental and computational approaches. The topology of the material, involving double linker connections in the <i>a</i> and <i>b</i> directions and single linker connections along the <i>c</i> axis, is shown to be key in the materials anisotropic response. The <i>a</i> and <i>b</i> directions remain locked during guest removal, while the <i>c</i> axis linker undergoes large changes significantly reducing the material’s void space. The changes to the <i>c</i> axis linker involve a combination of a hinge motion on the linker’s rigid side and conformational rearrangements on its flexible end, which were probed in detail during this process despite the presence of crystallographic disorder along this axis which prevented accurate characterisation by experimental methods alone. While inactive during guest removal, the flexible ends of the <i>a</i> and <i>b</i> axis linkers are observed to play a prominent role during DMF to DMSO solvent exchange, facilitating the exchange reaction arising in the cluster.</p>

Probing Time Dependent Phase Transformation in a Flexible Metal-Organic Framework with Nanoindentation

2021 ◽  
Author(s):  
Prakash Kanoo ◽  
Manish Kumar Mishra ◽  
Arpan Hazra
Keyword(s):  
Phase Transformation ◽  
Phase Transitions ◽  
Room Temperature ◽  
Metal Organic Framework ◽  
Time Dependent ◽  
Guest Molecules ◽  
Nanoindentation Technique ◽  
Metal Organic ◽  
Flexible Metal ◽  
Organic Framework

Phase transformation in a flexible metal-organic framework, {[Zn4(1,4-NDC)4(1,2-BPE)2]•xSolvent}n, which loses guest molecules rapidly at room temperature, leading to several phase transitions, is examined using nanoindentation technique. Nanoindentation results reveal time...

scholarly journals Time-Resolved In Situ X-ray Diffraction Reveals Metal-Dependent Metal-Organic Framework Formation

2016 ◽  
Vol 55 (45) ◽  
pp. 14081-14084 ◽  
Author(s):  
Yue Wu ◽  
Sebastian Henke ◽  
Gregor Kieslich ◽  
Inke Schwedler ◽  
Miaosen Yang ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
X Ray Diffraction ◽  
Time Resolved ◽  
X Ray ◽  
Metal Organic ◽  
Organic Framework

scholarly journals Triplet Dynamic Nuclear Polarization of Guest Molecules through Induced Fit in a Flexible Metal-Organic Framework

2021 ◽  
Author(s):  
Saiya Fujiwara ◽  
Naoto Matsumoto ◽  
Koki Nishimura ◽  
Nobuo Kimizuka ◽  
Kenichiro Tateishi ◽  
...  
Keyword(s):  
Dynamic Nuclear Polarization ◽  
Room Temperature ◽  
Nuclear Polarization ◽  
Metal Organic Framework ◽  
Induced Fit ◽  
Guest Molecules ◽  
Metal Organic ◽  
Target Molecules ◽  
Flexible Metal ◽  
Organic Framework

Dynamic nuclear polarization utilizing photoexcited triplet electrons (triplet-DNP) has great potential for room-temperature hyperpolarization of nuclear spins. However, the polarization transfer to molecules of interest remains a challenge due to the fast spin relaxation and weak interaction with target molecules at room temperature in conventional host materials. Here, we demonstrate the first example of DNP of guest molecules in a porous material at around room temperature by utilizing the induced-fit-type structural transformation of a crystalline yet flexible metal-organic framework (MOF). In contrast to the usual hosts, 1H spin-lattice relaxation time becomes longer by accommodating a pharmaceutical model target 5-fluorouracil as the flexible MOF changes its structure upon guest accommodation to maximize the host-guest interactions. Combined with triplet-DNP and cross-polarization, this system realizes an enhanced 19F-NMR signal of guest target molecules at around room temperature.

Adsorption of N/S heterocycles in the flexible metal–organic framework MIL-53(FeIII) studied by in situ energy dispersive X-ray diffraction

2013 ◽  
Vol 15 (22) ◽  
pp. 8606 ◽  
Author(s):  
Ben Van de Voorde ◽  
Alexis S. Munn ◽  
Nathalie Guillou ◽  
Franck Millange ◽  
Dirk E. De Vos ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Energy Dispersive ◽  
X Ray Diffraction ◽  
X Ray ◽  
Metal Organic ◽  
Flexible Metal ◽  
Organic Framework
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