@article { ISI:000291294100029,
	title = {Structural isomerism and effect of fluorination on gas adsorption in copper-tetrazolate based metal organic frameworks},
	journal = {Chemistry of Materials},
	volume = {23},
	number = {11},
	year = {2011},
	month = {JUN},
	pages = {2908-2916},
	publisher = {AMER CHEMICAL SOC},
	address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA},
	abstract = {<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>},
	keywords = {CO2 adsorption, fluorination, Hydrogen storage, Metal-organic framework, structural isomerism},
	issn = {0897-4756},
	doi = {10.1021/cm2004352},
	author = {Pachfule, Pradip and Chen, Yifei and Sahoo, Subash Chandra and Jiang, Jianwen and Banerjee, Rahul}
}
@article { ISI:000298731200036,
	title = {Fluorinated metal-organic frameworks: advantageous for higher H-2 and CO2 adsorption or not?},
	journal = {Chemistry-A European Journal},
	volume = {18},
	number = {2},
	year = {2012},
	month = {JAN},
	pages = {688-694},
	publisher = {WILEY-V C H VERLAG GMBH},
	address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY},
	abstract = {<p>The synthesis, structure, and gas adsorption properties of three new metalorganic frameworks (MOFs) designed from isonicotinic acid (INA) and its fluorinated analogue 3-fluoroisonicotinic acid (FINA) along with CoII as the metal center have been reported. Co-INA-1 ([Co3(INA)4(O)(C2H5OH)3][NO3].C2H5OH.3?H2O; INA=isonicotinic acid) and Co-INA-2 ([Co(INA)2].DMF) are structural isomers as are Co-FINA-1 ([Co3(FINA)4(O)(C2H5OH)2].H2O; FINA=3-fluoroisonicotinic acid) and Co-FINA-2 ([Co(FINA)2].H2O), but the most important thing to note here is that Co-INA-1 and Co-FINA-1 are isostructural as are Co-INA-2 and Co-FINA-2. The effect of partial introduction of fluorine atoms into the framework on the gas uptake properties of MOFs having similar structures has been analyzed experimentally and computationally in isostructural MOFs.</p>},
	keywords = {cobalt, fluorine, Hydrogen storage, metal-organic frameworks, microporous materials, X-ray diffraction},
	issn = {0947-6539},
	doi = {10.1002/chem.201102295},
	author = {Pachfule, Pradip and Chen, Yifei and Jiang, Jianwen and Banerjee, Rahul}
}
