Solvent-directed control over the topology of entanglement in square lattice (sql) coordination networks

2019 ◽  
Vol 55 (10) ◽  
pp. 1454-1457 ◽  
Author(s):  
Rana Sanii ◽  
Carol Hua ◽  
Ewa Patyk-Kaźmierczak ◽  
Michael J. Zaworotko
Keyword(s):  
Solvothermal Synthesis ◽  
Square Lattice ◽  
Coordination Networks ◽  
Imidazole Ligand

We report herein that the mode of entanglement in square lattice, sql, coordination networks formed by an extended bis-imidazole ligand, L, can be controlled by the solvent used during solvothermal synthesis.

Solvothermal Synthesis and Structural Characterization of Ultralight Metal Coordination Networks

2010 ◽  
Vol 10 (2) ◽  
pp. 709-715 ◽  
Author(s):  
Debasis Banerjee ◽  
Sun Jin Kim ◽  
Lauren A. Borkowski ◽  
Wenqian Xu ◽  
John B. Parise
Keyword(s):  
Structural Characterization ◽  
Solvothermal Synthesis ◽  
Metal Coordination ◽  
Coordination Networks

scholarly journals Tuning Pore Size in Square-Lattice Coordination Networks for Size-Selective Sieving of CO2

2016 ◽  
Vol 55 (35) ◽  
pp. 10268-10272 ◽  
Author(s):  
Kai-Jie Chen ◽  
David G. Madden ◽  
Tony Pham ◽  
Katherine A. Forrest ◽  
Amrit Kumar ◽  
...  
Keyword(s):  
Pore Size ◽  
Square Lattice ◽  
Coordination Networks

scholarly journals Tuning Pore Size in Square-Lattice Coordination Networks for Size-Selective Sieving of CO2

2016 ◽  
Vol 128 (35) ◽  
pp. 10424-10428 ◽  
Author(s):  
Kai-Jie Chen ◽  
David G. Madden ◽  
Tony Pham ◽  
Katherine A. Forrest ◽  
Amrit Kumar ◽  
...  
Keyword(s):  
Pore Size ◽  
Square Lattice ◽  
Coordination Networks

scholarly journals Tuning the switching pressure in square lattice coordination networks by metal cation substitution

2022 ◽  
Author(s):  
Michael Zaworotko ◽  
Shi-Qiang Wang ◽  
Shaza Darwish ◽  
Debobroto Sensharma
Keyword(s):  
Metal Cation ◽  
Sorption Isotherms ◽  
Square Lattice ◽  
Cation Substitution ◽  
Coordination Networks

Coordination networks that undergo guest-induced switching between “closed” nonporous and “open” porous phases are of increasing interest as the resulting stepped sorption isotherms can offer exceptional working capacities for gas...

scholarly journals Tuning the switching pressure in square lattice coordination networks by metal cation substitution

2021 ◽  
Author(s):  
Shi-Qiang Wang ◽  
Shaza Darwish ◽  
Debobroto Sensharma ◽  
Michael J. Zaworotko
Keyword(s):  
Metal Cation ◽  
Sorption Isotherms ◽  
Gas Storage ◽  
Square Lattice ◽  
Cation Substitution ◽  
Coordination Networks ◽  
Fast Switching ◽  
Switching Event ◽  
Co2 Sorption

Coordination networks that undergo guest-induced switching between “closed” nonporous and “open” porous phases are of increasing interest as the resulting stepped sorption isotherms can offer exceptional working capacities for gas storage applications. For practical utility, the gate ad/desorption pressures (Pga/Pgd) must lie between the storage (Pst) and delivery (Pde) pressures and there must be fast switching kinetics. Herein we study the effect of metal cation substitution on the switching pressure of a family of square lattice coordination networks [M(4,4’-bipyridine)2(NCS)]n (sql-1-M-NCS, M = Fe, Co and Ni) with respect to CO2 sorption. The Clausius-Clapeyron equation was used to correlate Pga/Pgd and temperature. At 298 K, Pga/Pgd values were found to vary from 31.6/26.7 bar (M = Fe) to 26.7/20.9 bar (M = Co) and 18.5/14.6 bar (M = Ni). The switching event occurs within 10 minutes as verified by dynamic CO2 sorption tests. In addition, in situ synchrotron PXRD and molecular simulations provided structural insight into the observed switching event, which we attribute to layer expansion of sql-1-M-NCS via intercalation and inclusion of CO2 molecules. This study could pave the way for rational control over Pga/Pgd in switching adsorbent layered materials and enhance their potential utility in gas storage applications.

Solvothermal synthesis, characterisation and luminescent property of multilayered SnO 2 hollow microspheres

2014 ◽  
Vol 9 (2) ◽  
pp. 87-90 ◽  
Author(s):  
Zhi Yuan Wang ◽  
Feng Ping Wang ◽  
Yan Li ◽  
Ming Yan Li ◽  
Muhammad Zubair Iqbal ◽  
...  
Keyword(s):  
Luminescent Property ◽  
Solvothermal Synthesis ◽  
Hollow Microspheres

Hydrothermal/Solvothermal Synthesis and Photocatalytic Performance of ZnS Microspheres

2016 ◽  
Vol 31 (5) ◽  
pp. 473 ◽  
Author(s):  
WU Xuan-Rong ◽  
YANG Qiao-Zhen ◽  
ZHAO Yong-Xiang ◽  
LU Yan-Luo
Keyword(s):  
Solvothermal Synthesis ◽  
Photocatalytic Performance

Influence of Flexible Side-Chains on the Breathing Phase Transition of Pillared Layer MOFs: A Force Field Investigation

2020 ◽  
Author(s):  
Julian Keupp ◽  
Johannes P. Dürholt ◽  
Rochus Schmid
Keyword(s):  
First Principles ◽  
Good Accuracy ◽  
Field Investigation ◽  
Square Lattice ◽  
Side Chain ◽  
Second Step ◽  
Side Chains ◽  
Dynamics Simulations ◽  
Complex Phenomena ◽  
Closed Pore

The prototypical pillared layer MOFs, formed by a square lattice of paddle-<br>wheel units and connected by dinitrogen pillars, can undergo a breathing phase<br>transition by a “wine-rack” type motion of the square lattice. We studied this not<br>yet fully understood behavior using an accurate first principles parameterized force<br>field (MOF-FF) for larger nanocrystallites on the example of Zn 2 (bdc) 2 (dabco) [bdc:<br>benzenedicarboxylate, dabco: (1,4-diazabicyclo[2.2.2]octane)] and found clear indi-<br>cations for an interface between a closed and an open pore phase traveling through<br>the system during the phase transformation [Adv. Theory Simul. 2019, 2, 11]. In<br>conventional simulations in small supercells this mechanism is prevented by periodic<br>boundary conditions (PBC), enforcing a synchronous transformation of the entire<br>crystal. Here, we extend this investigation to pillared layer MOFs with flexible<br>side-chains, attached to the linker. Such functionalized (fu-)MOFs are experimen-<br>tally known to have different properties with the side-chains acting as fixed guest<br>molecules. First, in order to extend the parameterization for such flexible groups,<br>1a new parametrization strategy for MOF-FF had to be developed, using a multi-<br>structure force based fit method. The resulting parametrization for a library of<br>fu-MOFs is then validated with respect to a set of reference systems and shows very<br>good accuracy. In the second step, a series of fu-MOFs with increasing side-chain<br>length is studied with respect to the influence of the side-chains on the breathing<br>behavior. For small supercells in PBC a systematic trend of the closed pore volume<br>with the chain length is observed. However, for a nanocrystallite model a distinct<br>interface between a closed and an open pore phase is visible only for the short chain<br>length, whereas for longer chains the interface broadens and a nearly concerted trans-<br>formation is observed. Only by molecular dynamics simulations using accurate force<br>fields such complex phenomena can be studied on a molecular level.

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