@article { ISI:000296264700024, title = {Structural and gas adsorption study of a two-dimensional copper-tetrazole based metal-organic framework}, journal = {Current Science}, volume = {101}, number = {7}, year = {2011}, month = {OCT}, pages = {894-899}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A new two-dimensional (2D) metal organic framework, Cu-1(4-TBA)(1)(DMBP)(1).DMF (Cu-TBA-3), has been synthesized under solvothermal condition from transition metal cation Cu(II), predesigned ligand 4-(1H-tetrazole-5-yl)benzoic acid (4-TBA) and coligand 4,4{\textquoteright}-dimethy1-2,2{\textquoteright}-bipyridine (DMBP). The structure has been determined by single crystal X-ray crystallography which shows layered 2D structure with square shaped one-dimensional channels. Cu-TBA-3 shows 0.69 wt\% H-2 (at 77 K, 1 atm) and 1.65 mmol/g CO2 (at 298 K, 1 atm) uptake.

}, keywords = {CO2 capture, Hydrogen storage, metal-organic frameworks, microporous materials}, issn = {0011-3891}, author = {Pachfule, Pradip and Banerjee, Rahul} } @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 = {

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.

}, 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:000308310100032, title = {Control of porosity by using isoreticular zeolitic imidazolate frameworks (IRZIFs) as a template for porous carbon synthesis}, journal = {Chemistry-A European Journal}, volume = {18}, number = {36}, year = {2012}, month = {SEP}, pages = {11399-11408}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Herein, by using isoreticular zeolitic imidazolate frameworks (IRZIFs) as a template, we report the synthesis, morphology, and gas adsorption properties of porous carbon synthesized by a nanocasting method at 1000 degrees C, in which furfuryl alcohol (FA) was used as a carbon source. By using IRZIFs with variable porosity as templates, we could achieve control over the carbon porosity and H-2 and CO2 uptake. The resultant microporous carbon C-70, synthesized by using ZIF-70 as the template, is the most porous (Brunauer-Emmett-Teller (BET) surface area 1510 m(2)g(-1)). Carbon C-68, synthesized by using ZIF-68, has moderate porosity (BET surface area 1311 m(2)g(-1)), and C-69, synthesized by using ZIF-69, has the lowest porosity in this series (BET surface area 1171 m(2)g(-1)). The porous carbons C-70, C-68, and C-69, which have graphitic texture, have promising H2 uptake capacities of 2.37, 2.15, and 1.96 wt\%, respectively, at 77 K and 1 atm. Additionally, C-70, C-68, and C-69 show CO2 uptake capacities of 5.45, 4.98, and 4.54 mmolg(-1), respectively, at 273 K and 1 atm. The gas uptake trends shown by C-70, C-68, and C-69 clearly indicate the dependence of carbon porosity on the host template. Moreover, the as-synthesized carbons C-70, C-68, and C-69 show variable conductivity.

}, keywords = {Carbon, Hydrogen storage, metal-organic frameworks, microporous materials, zinc}, issn = {0947-6539}, doi = {10.1002/chem.201200957}, author = {Pachfule, Pradip and Biswal, Bishnu P. 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 = {

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.

}, 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} } @article { ISI:000312974000005, title = {Functionalized metal organic frameworks (MOFs) for reversible gas storage and sequestration applications}, journal = {Journal of the Indian Chemical Society}, volume = {89}, number = {9}, year = {2012}, month = {SEP}, pages = {1197-1202}, publisher = {SCIENTIFIC PUBL-INDIA}, address = {5-A, NEW PALI RD, PO BOX 91, NEAR HOTEL TAJ HARI MAHAL, JODHPUR, 342 003, INDIA}, abstract = {

The decreasing amount of fossil fuels and increasing threat of global warming from the pollutants have driven the search for clean energy source. Energy sources from fossil fuels still remain in the forefront despite being a major source of increased CO2 content in the atmosphere. Metal Organic Frameworks (MOFs) have emerged as promising materials for hydrogen storage and CO2 sequestration. Several factors influencing the hydrogen uptake of porous MOFs such as surface area, catenation, ligand functionalization, doping with alkali metals and unsaturated metal centers have been extensively studied. Similarly, well defined periodicity and tunable pore sizes along with less basic amino-functionalized MOFs enables them favorable for fast and reversible CO2 gas adsorption at low partial pressure and room temperature. In this review we present diverse aspects of metal organic frameworks like fluorination, amino functionalization for high hydrogen storage and CO2 sequestration capabilities.

}, keywords = {carbon capture, CO2 adsorption, fluorination, Hydrogen storage, Metal-organic framework, structural isomerism}, issn = {0019-4522}, author = {Banerjee, Rahul} }