Selective gas adsorption in microporous metal–organic frameworks incorporating urotropine basic sites: an experimental and theoretical study

2015 ◽  
Vol 51 (73) ◽  
pp. 13918-13921 ◽  
Author(s):  
S. A. Sapchenko ◽  
D. N. Dybtsev ◽  
D. G. Samsonenko ◽  
R. V. Belosludov ◽  
V. R. Belosludov ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Ab Initio ◽  
Coordination Polymers ◽  
Theoretical Study ◽  
Gas Adsorption ◽  
Selective Adsorption ◽  
Metal Organic Frameworks ◽  
Porous Coordination Polymers ◽  
Basic Sites ◽  
Metal Organic

Urotropine-based porous coordination polymers with free N-donors demonstrate selective adsorption towards acidic gas substrates (C2H2 or CO2) as confirmed by isotherm measurements and ab initio DFT calculations.

scholarly journals Use of the PIXEL method to investigate gas adsorption in metal–organic frameworks

CrystEngComm ◽  
2016 ◽  
Vol 18 (18) ◽  
pp. 3273-3281 ◽  
Author(s):  
Andrew G. P. Maloney ◽  
Peter A. Wood ◽  
Simon Parsons
Keyword(s):  
Dft Calculations ◽  
Gas Adsorption ◽  
Metal Organic Frameworks ◽  
Binding Energies ◽  
Metal Organic

The PIXEL method can be applied to MOFs, yielding binding energies and optimised guest locations similar to more costly DFT calculations.

Selective carbon dioxide adsorption by mixed-ligand porous coordination polymers

CrystEngComm ◽  
2015 ◽  
Vol 17 (44) ◽  
pp. 8388-8413 ◽  
Author(s):  
Biswajit Bhattacharya ◽  
Debajyoti Ghoshal
Keyword(s):  
Carbon Dioxide ◽  
Solid State ◽  
Coordination Polymers ◽  
Metal Organic Frameworks ◽  
Mixed Ligand ◽  
Carbon Dioxide Adsorption ◽  
Porous Coordination Polymers ◽  
Metal Organic ◽  
Proper Design

Mixed ligand metal–organic frameworks (MOFs) have resolutely established themselves as a class of excellent solid state sorbents for carbon dioxide (CO2) and a proper design of such MOF can potentially improve not only the amount of CO2 adsorption, but also the selectivity of CO2 uptake over other gases and volatiles.

scholarly journals Antifungal activity of water-stable copper-containing metal-organic frameworks

2017 ◽  
Vol 4 (10) ◽  
pp. 170654 ◽  
Author(s):  
Supaporn Bouson ◽  
Atiweena Krittayavathananon ◽  
Nutthaphon Phattharasupakun ◽  
Patcharaporn Siwayaprahm ◽  
Montree Sawangphruk
Keyword(s):  
Growth Rate ◽  
Candida Albicans ◽  
Antifungal Activity ◽  
Aspergillus Niger ◽  
Coordination Polymers ◽  
Metal Organic Frameworks ◽  
Antimicrobial Activities ◽  
Porous Coordination Polymers ◽  
Metal Organic ◽  
Agricultural Industries

Although metal-organic frameworks (MOFs) or porous coordination polymers have been widely studied, their antimicrobial activities have not yet been fully investigated. In this work, antifungal activity of copper-based benzene-tricarboxylate MOF (Cu-BTC MOF), which is water stable and industrially interesting, is investigated against Candida albicans , Aspergillus niger , Aspergillus oryzae and Fusarium oxysporum . The Cu-BTC MOF can effectively inhibit the growth rate of C. albicans and remarkably inhibit the spore growth of A. niger , A. oryzae and F. oxysporum . This finding shows the potential of using Cu-BTC MOF as a strong biocidal material against representative yeasts and moulds that are commonly found in the food and agricultural industries.

scholarly journals Host–guest selectivity in a series of isoreticular metal–organic frameworks: observation of acetylene-to-alkyne and carbon dioxide-to-amide interactions

2019 ◽  
Vol 10 (4) ◽  
pp. 1098-1106 ◽  
Author(s):  
Jack D. Humby ◽  
Oguarabau Benson ◽  
Gemma L. Smith ◽  
Stephen P. Argent ◽  
Ivan da Silva ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Gas Adsorption ◽  
Selective Adsorption ◽  
Metal Organic Frameworks ◽  
Metal Organic ◽  
Adsorption Of Co ◽  
Guest Selectivity

We report a series of six isoreticular metal–organic frameworks (MOFs) for selective gas adsorption, specifically for selective adsorption of CO2 and C2H2.

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