Engineering ligand conformation by substituent manipulation towards diverse copper–tricarboxylate frameworks with tuned gas adsorption properties

2021 ◽  
Author(s):  
Tingting Xu ◽  
Minghui He ◽  
Lihui Fan ◽  
Ping Zhou ◽  
Zhenzhen Jiang ◽  
...  
Keyword(s):  
Gas Adsorption ◽  
Adsorption Properties ◽  
Ligand Conformation

Two copper–tricarboxylate frameworks with diverse topologies were targeted by engineering the ligand conformations, displaying tunable gas adsorption properties.

Rational construction of an ssa-type of MOF through pre-organizing the ligand's conformation and its exceptional gas adsorption properties

2018 ◽  
Vol 47 (7) ◽  
pp. 2444-2452 ◽  
Author(s):  
Yao Wang ◽  
Minghui He ◽  
Zhi Tian ◽  
Haoyan Zhong ◽  
Lisha Zhu ◽  
...  
Keyword(s):  
Gas Adsorption ◽  
Adsorption Properties ◽  
Controlled Assembly ◽  
Assembly Strategy ◽  
Rational Construction ◽  
Ligand Conformation

A ligand conformation-controlled assembly strategy has been successfully employed to construct a copper-based MOF with the desired ssa-type topology, which exhibits exceptional C2H2 and CO2 adsorption properties.

Tailoring the structures and gas adsorption properties of copper–bent diisophthalate frameworks by a substituent-driven ligand conformation regulation strategy

CrystEngComm ◽  
2019 ◽  
Vol 21 (44) ◽  
pp. 6733-6743 ◽  
Author(s):  
Minghui He ◽  
Xiaoxia Gao ◽  
Tingting Xu ◽  
Zhenzhen Jiang ◽  
Yabing He
Keyword(s):  
Gas Adsorption ◽  
Adsorption Properties ◽  
Ligand Conformation

A substituent-induced ligand conformation regulation strategy was employed to tailor the structures and gas adsorption properties of copper-bent diisophthalate frameworks.

scholarly journals Gas Porosimetry by Gas Adsorption as an Efficient Tool for the Assessment of the Shaping Effect in Commercial Zeolites

Nanomaterials ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 1205
Author(s):  
Alejandro Orsikowsky-Sanchez ◽  
Christine Franke ◽  
Alexander Sachse ◽  
Eric Ferrage ◽  
Sabine Petit ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Strong Interaction ◽  
Gas Adsorption ◽  
Co2 Adsorption ◽  
Adsorption Properties ◽  
Preparation Process ◽  
Pore Filling ◽  
Irreversible Adsorption ◽  
Efficient Tool ◽  
4A Zeolite

A set of three commercial zeolites (13X, 5A, and 4A) of two distinct shapes have been characterized: (i) pure zeolite powders and (ii) extruded spherical beads composed of pure zeolite powders and an unknown amount of binder used during their preparation process. The coupling of gas porosimetry experiments using argon at 87 K and CO2 at 273 K allowed determining both the amount of the binder and its effect on adsorption properties. It was evidenced that the beads contain approximately 25 wt% of binder. Moreover, from CO2 adsorption experiments at 273 K, it could be inferred that the binder present in both 13X and 5A zeolites does not interact with the probe molecule. However, for the 4A zeolite, pore filling pressures were shifted and strong interaction with CO2 was observed leading to irreversible adsorption of the probe. These results have been compared to XRD, IR spectroscopy, and ICP-AES analysis. The effect of the binder in shaped zeolite bodies can thus have a crucial impact on applications in adsorption and catalysis.

The synthesis, characterization, and theoretical hydrogen gas adsorption properties of copper(II)-3,3′-thiodipropionate complexes with imidazole derivatives

2013 ◽  
Vol 66 (23) ◽  
pp. 4093-4106 ◽  
Author(s):  
Mürsel Arici ◽  
Okan Zafer Yeşılel ◽  
Seda Keskın ◽  
Onur Şahın ◽  
Orhan Büyükgüngör
Keyword(s):  
Gas Adsorption ◽  
Adsorption Properties ◽  
Hydrogen Gas ◽  
Imidazole Derivatives

Effects of electric field and biaxial strain on the (NO2, NO, O2, and SO2) gas adsorption properties of Sc2CO2 monolayer

2021 ◽  
pp. 107135
Author(s):  
Khang D. Pham ◽  
Pham Cong Dinh ◽  
Do Van Diep ◽  
Tuan V. Vu ◽  
Hai L. Luong ◽  
...  
Keyword(s):  
Electric Field ◽  
Gas Adsorption ◽  
Adsorption Properties ◽  
Biaxial Strain ◽  
So2 Gas

scholarly journals Statistical Thermodynamic Model of Gas Adsorption in a Metal-Organic Framework Harboring a Rotaxane Molecular Shuttle

2019 ◽  
Author(s):  
Jonathan Carney ◽  
David Roundy ◽  
Cory M. Simon
Keyword(s):  
Thermodynamic Model ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Adsorption Properties ◽  
Statistical Thermodynamic ◽  
Temperature Sensitive ◽  
Adsorption Sites ◽  
Metal Organic ◽  
Dynamic Components ◽  
Molecular Shuttle

Metal-organic frameworks (MOFs) are modular and adjustable nano-porous materials with applications in gas storage, separations, and sensing. Flexible/dynamic components that respond to adsorbed gas can give MOFs unique or enhanced adsorption properties. Here, we explore the adsorption properties that could be imparted to a MOF by a rotaxane molecular shuttle (RMS) in its pores. In an RMS-MOF, a macrocyclic wheel is mechanically interlocked with a strut. The wheel shuttles between stations on the strut that are also gas adsorption sites. We pose and analyze a simple statistical thermodynamic model of gas adsorption in an RMS-MOF that accounts for (i) wheel/gas competition for sites on the strut and (ii) the entropy endowed by the shuttling wheel. We determine how the amount of gas adsorbed, position of the wheel, and energy change upon adsorption depend on temperature, pressure, and the interactions of the gas/wheel with the stations. Our model reveals that, compared to an ordinary Langmuir material, the chemistry of the RMS-MOF can be tuned to render adsorption more or less temperature-sensitive and release more or less heat upon adsorption. The model also uncovers a non-monotonic relationship between temperature and the position of the wheel if gas out-competes the wheel for its preferable station.

scholarly journals Statistical Mechanical Model of Gas Adsorption in a Metal-Organic Framework Harboring a Rotaxane Molecular Shuttle

2020 ◽  
Author(s):  
Jonathan Carney ◽  
David Roundy ◽  
Cory M. Simon
Keyword(s):  
Mechanical Model ◽  
Gas Adsorption ◽  
Adsorption Properties ◽  
Temperature Sensitive ◽  
Adsorption Model ◽  
Adsorption Sites ◽  
Statistical Mechanical Model ◽  
Metal Organic ◽  
Statistical Mechanical ◽  
Molecular Shuttle

Metal-organic frameworks (MOFs) are modular and tunable nano-porous materials with applications in gas storage, separations, and sensing. Flexible/dynamic components that respond to adsorbed gas can give MOFs unique or enhanced adsorption properties. Here, we explore the adsorption properties that could be imparted to a MOF by a rotaxane molecular shuttle (RMS) in its pores. In the unit cell of an RMS-MOF, a macrocyclic wheel is mechanically interlocked with a strut of the MOF scaffold. The wheel shuttles between stations on the strut that are also gas adsorption sites. At a level of abstraction similar to the seminal Langmuir adsorption model, we pose and analyze a simple statistical mechanical model of gas adsorption in an RMS-MOF that accounts for (i) wheel/gas competition for sites on the strut and (ii) gas-induced changes in the configurational entropy of the shuttling wheel. We determine how the amount of gas adsorbed, position of the wheel, and differential energy of adsorption depend on temperature, pressure, and the interactions of the gas/wheel with the stations. Our model reveals that, compared to a rigid, Langmuir material, the chemistry of the RMS-MOF can be tuned to render gas adsorption more or less temperature-sensitive and to release more or less heat upon adsorption. The model also uncovers a non-monotonic relationship between the temperature and the position of the wheel if gas out-competes the wheel for its preferable station.

Three ligand-originated MOF isomers: the positional effect of the methyl group on structures and selective C2H2/CH4 and CO2/CH4 adsorption properties

2018 ◽  
Vol 47 (27) ◽  
pp. 8983-8991 ◽  
Author(s):  
Minghui He ◽  
Yao Wang ◽  
Xiaoxia Gao ◽  
Saidan Li ◽  
Yabing He
Keyword(s):  
Gas Adsorption ◽  
Adsorption Properties ◽  
Methyl Group ◽  
Positional Effect ◽  
Ch4 Adsorption

The positional effect of the methyl group on structures and gas adsorption properties was explored in a copper-based MOF platform constructed from bent diisophthalate ligands bearing the methyl group at different positions.

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