title: Improvement of Methane-Framework Interaction by Controlling Pore Size and Functionality of Pillared MOFs.
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·DMF, TMU-34(-2H), [Zn(OBA)(DPT)0.5]n·DMF, and TMU-5, [Zn(OBA)(BPDH)0.5]n·1.5DMF, respectively. By controlling the pore size and chemical functionality of these three MOFs, we can improve the interactions between CO2and especially CH4with the frameworks. Calculated Qst(CH4) for TMU-5, TMU-34, and TMU-34(-2H) are 27, 23, and 22 kJ mol-1, respectively. These Qstvalues 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 CO2adsorption.
authors.affiliation: Department of Chemistry, Faculty of Sciences, Tarbiat Modares University , Tehran, Islamic Republic of Iran.
authors.forename: Sayed Ali Akbar
authors.initials: SA
authors.lastname: Razavi
authors.affiliation: Department of Chemistry, Faculty of Sciences, Tarbiat Modares University , Tehran, Islamic Republic of Iran.
authors.forename: Mohammad Yaser
authors.initials: MY
authors.lastname: Masoomi
authors.affiliation: Department of Chemistry, Northwestern University , 2145 Sheridan Road, Evanston, Illinois 60208, United States.
authors.forename: Timur
authors.identifier: http://orcid.org/0000-0003-3688-9158
authors.initials: T
authors.lastname: Islamoglu
authors.affiliation: Department of Chemistry, Faculty of Sciences, Tarbiat Modares University , Tehran, Islamic Republic of Iran.|Department of Chemistry, Northwestern University , 2145 Sheridan Road, Evanston, Illinois 60208, United States.
authors.forename: Ali
authors.identifier: http://orcid.org/0000-0002-1828-7287
authors.initials: A
authors.lastname: Morsali
authors.affiliation: Department of Chemistry, Northwestern University , 2145 Sheridan Road, Evanston, Illinois 60208, United States.
authors.forename: Yan
authors.initials: Y
authors.lastname: Xu
authors.affiliation: Department of Chemistry, Northwestern University , 2145 Sheridan Road, Evanston, Illinois 60208, United States.
authors.forename: Joseph T
authors.identifier: http://orcid.org/0000-0003-3982-9812
authors.initials: JT
authors.lastname: Hupp
authors.affiliation: Department of Chemistry, Northwestern University , 2145 Sheridan Road, Evanston, Illinois 60208, United States.
authors.forename: Omar K
authors.identifier: http://orcid.org/0000-0002-9904-9845
authors.initials: OK
authors.lastname: Farha
authors.affiliation: College of Science and Engineering, James Cook University , Townsville, Queensland 4811, Australia.
authors.forename: Jun
authors.initials: J
authors.lastname: Wang
authors.affiliation: College of Science and Engineering, James Cook University , Townsville, Queensland 4811, Australia.
authors.forename: Peter C
authors.initials: PC
authors.lastname: Junk