Improvement of methane-framework interaction by controlling pore size and functionality of pillared MOFs

Razavi, Sayed Ali Akbar, Masoomi, Mohammad Yaser, Islamoglu, Timur, Morsali, Ali, Xu, Yan, Hupp, Joseph T., Farha, Omar K., Wang, Jun, and Junk, Peter C. (2017) Improvement of methane-framework interaction by controlling pore size and functionality of pillared MOFs. Inorganic Chemistry, 56 (5). pp. 2581-2588.

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Abstract

The rational design of functionalized porous metal organic frameworks (MOFs) for gas adsorption applications has been applied using three spacer ligands H2DPT (3,6-di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine), DPT (3,6-di(pyridin-4-yl)-1,2,4,5-tetrazine), and BPDH (2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene) to synthesize TMU-34, [Zn(OBA)(H2DPT)(0.5)](n)center dot DMF, TMU-34(-2H), [Zn(OBA)(DPT)(0.5)]center dot DMF, and TMU-5, [Zn(OBA)(BPDH)(0.5)](n) center dot 1.5DMF, respectively. By controlling the pore size and chemical functionality of these three MOFs, we can improve the interactions between CO, and especially CH4 with the frameworks. Calculated Q(st)(CH4) for TMU-5, TMU-34, and TMU-34(-2H) are 27, 23, and 22 kJ mol(-1), respectively. These Q(st) values are among the highest for CH4- framework interactions. For systematic comparison, two reported frameworks, TMU-4 and TMU-5, have been compared with TMU-34 and TMU-34(-2H) in CO2 adsorption.

Item ID: 50579
Item Type: Article (Research - C1)
ISSN: 1520-510X
Funders: Tarbiat Modares University, Northwestern University
Date Deposited: 20 Sep 2017 10:11
FoR Codes: 03 CHEMICAL SCIENCES > 0399 Other Chemical Sciences > 039999 Chemical Sciences not elsewhere classified @ 100%
SEO Codes: 97 EXPANDING KNOWLEDGE > 970103 Expanding Knowledge in the Chemical Sciences @ 100%
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