02047nas a2200253   4500008004100000022001400041245012300055210006900178260007100247300001400318490000700332520110900339653001901448653001701467653002101484653002801505653002501533100002101558700001601579700002701595700001901622700002001641856013201661       2011                        eng d  a0897-475600aStructural isomerism and effect of fluorination on gas adsorption in copper-tetrazolate based metal organic frameworks0 aStructural isomerism and effect of fluorination on gas adsorptio  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN  a2908-29160 v233 a<p>Synthesis, structure, and gas adsorption properties of three Metal Organic Frameworks (MOFs) synthesized from predesigned ligands 4-(1H-tetrazole-5-yl)benzoic acid (4-TBA) and 2-fluoro-4-(1H-tetrazole-5-yl)benzoic acid (2F-4-TBA) along with Cu(II) as an metal precursor has been reported. Among these MOFs, Cu-9(4-TBA)(10)(C2H5OH)(2) (Cu-TBA-1) and Cu-2(4-TBA)(2)(DMF)(C2H5OH) (Cu-TBA-2) are structural isomers. Whereas, Cu-2(4-TBA)(2)(DMF)(C2H5OH) (Cu-TBA-2) and Cu-2(2-F-4-TBA)(2)(DMF)(2) (Cu-TBA-2F) have similar crystal structure. N-2 adsorption isotherms of the activated sample of Cu-TBA-1 and -2 exhibit types-I sorption behavior with a Langmuir and Brunauer-Emmett-Teller (BET) surface area of 686, 402 m(2)/g and 616, 356 m(2)/g, respectively. It is noteworthy that Cu-TBA-1 and -2 adsorbs 1.16 and, 1.54 wt % H-2, while Cu-TBA-2F adsorbs 0.67 wt % at 77 K and 1 atm. On the other hand, Cu-TBA-1 and -2 adsorb 3.08 and 2.54 mmol/g, while Cu-TBA-2F adsorbs 1.27 mmol/g of CO2 at 298 K and 1 bar pressure. H-2 adsorption sites in Cu-TBA-2 and -2F have been analyzed by molecular simulation.</p>10aCO2 adsorption10afluorination10aHydrogen storage10aMetal-organic framework10astructural isomerism1 aPachfule, Pradip1 aChen, Yifei1 aSahoo, Subash, Chandra1 aJiang, Jianwen1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/structural-isomerism-and-effect-fluorination-gas-adsorption-copper-tetrazolate-based-metal-0