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 King Fahd University of Petroleum & Minerals  ​
Joint Seminar ​
Chemistry Department and KACST-TIC on CCS

Dr. Hiroyasu Furukawa

University of California, Berkeley


 TitleMesoscale spatial apportionment of functional groups in multivariate metal-organic frameworks (MTV-MOFs)
 AbstractMetal-organic frameworks (MOFs) are a class of crystalline porous materials, where organic linkers and inorganic units are alternately connected to form frameworks with large amounts of open space. The flexibility with which these components can be varied has led to an extensive class of MOF structures with high surface areas, far exceeding those achieved for activated carbons and zeolites. Recently, we demonstrated that multivariate MOFs (MTV-MOFs), in which multiple organic functionalities are incorporated within a single framework, showed higher H2 uptake capacity and CO/CO2 selectivity compared with its best same-link counterparts. This prompts us to study the apportionment of functional groups in MOF structures. Here, the heterogeneous mesoscale spatial apportionment of functional groups in a series of MTV-MOF-5 containing BDC (1,4-benzenedicarboxylate) linkers with different functional groups (B: BDC-NH2, E: BDC-NO2, F: [BDC-(CH3)2], H: [BDC-(OC3H5)2], and I: [BDC-(OC7H7)2]) was determined using solid-state NMR measurements combined with molecular simulations. The analysis reveals that these methods discern between random (EF), alternating (EI and EHI), and various cluster (BF) forms of functional group apportionments. This approach predicts the adsorptive properties of crystalline MTV-MOF systems and constitute the first step in resolving the more general problem of spatial disorder in other ordered materials, including mesoporous materials, functionalized polymers, and defect distributions within crystalline solids.

December 11, 2013
11:00 AM

 PlaceBuilding 4 - 150

There will be a get-together with Refreshments between10:45-11:00 am in B4 - 150

Courtesy: SAICSC-ACS

​Dr. Mohammad Nahid Siddiqui, Chair, Seminars and Social Activities Committee ​