01933nas a2200193   4500008004100000022001400041245012000055210006900175260011000244300001400354490000700368520114000375100002001515700002001535700002101555700001501576700002001591856012801611       2010                        eng d  a0959-942800aSelective CO2 and H-2 adsorption in a chiral magnesium-based metal organic framework (Mg-MOF) with open metal sites0 aSelective CO2 and H2 adsorption in a chiral magnesiumbased metal  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcSEP  a9073-90800 v203 a<p>A rare porous magnesium-based metal-organic framework, Mg-MOF-1 [Mg(3,5-PDC)(H2O)], was synthesized solvothermally in DMF. Structural determination by X-ray single-crystal diffraction technique reveals that this chiral MOF (space group P6(1)22) is constructed by helical assembly of Mg2+ ions with achiral 3,5-pyridine dicarboxylates and coordinating water molecules, to form a three-dimensional framework with parallel hexagonal channels. The structural detail of its 0D analogue Mg-MOF-2 [Mg(2,4-PDC)(H2O)(3)] has been discussed to show how subtle variation in the ligand architecture changes the resulting structure from 0D to 3D. Mg-MOF-1 remains robust and porous upon evacuation of the coordinating water molecules. This is the first report of a chiral hexagonal Mg-MOF synthesized from an achiral organic building unit. Open Mg metal sites show selective hydrogen (H-2) adsorption (ca. 0.8 wt% at 77 K) and carbon dioxide (CO2) uptake (ca. 0.7 mmol g(-1) at 298 K) over nitrogen at 1 atm. Ab initio quantum chemical calculation of adsorption energies and possible adsorption sites of hydrogen molecules are also reported.</p>1 aMallick, Arijit1 aSaha, Subhadeep1 aPachfule, Pradip1 aRoy, Sudip1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/selective-co2-and-h-2-adsorption-chiral-magnesium-based-metal-organic-framework-mg-mof-001988nas a2200181   4500008004100000022001400041245016000055210006900215260011000284300001400394490000700408520118800415100002101603700001701624700001701641700002001658856012801678       2010                        eng d  a1466-803300aStructural diversity in a series of metal-organic frameworks (MOFs) composed of divalent transition metals, 4,4 `-bipyridine and a flexible carboxylic acid0 aStructural diversity in a series of metalorganic frameworks MOFs  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR  a2381-23890 v123 a<p>A series of flexible metal-organic frameworks (MOFs) have been successfully synthesized under hydrothermal condition using 1,3-adamantanediacetic acid (C(14)H(20)O(4), H(2)ADA) as a flexible dicarboxylate building block, 4,4'-bipyridine and transition metal ions [Cd(II), Zn(II), and Mn(II)] as metal centers in DMF and aqueous media. These MOFs formulated as [Cd(ADA)(4,4'-bipy)(0.5)]center dot(DMF) (Cd-ADA-1), [Mn(ADA)(4,4'-bipy)(0.5)]center dot(DMF) (Mn-ADA-1), Zn(ADA)(4,4'-bipy)(0.5) (Zn-ADA-1), and [Mn(HADA)(2)(4,4'-bipy)(H(2)O)(2)] (Mn-ADA-2) (ADA = 1,3-adamantanediacetate, 4,4'-bipy = 4,4'-bipyridine and DMF = N,N'-dimethyl formamide) display interesting 1D, 2D and 3D structural features depending on the solvent of synthesis. All these MOFs were structurally determined by single-crystal X-ray diffraction. The coordination modes of this ligand are discussed and in addition, thermal stability and hydrogen (H(2)) and carbon-dioxide (CO(2)) adsorption properties of Cd-ADA-1, Mn-ADA-1 and Zn-ADA-1 are also presented. Hydrogen sorption at 77 K and up to 1 atm is found to be 0.42, 0.72 and 1.36 wt% without saturation for Zn-ADA-1, Mn-ADA-1 and Cd-ADA-1 samples.</p>1 aPachfule, Pradip1 aPanda, Tamas1 aDey, Chandan1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/structural-diversity-series-metal-organic-frameworks-mofs-composed-divalent-transition-002718nas a2200193   4500008004100000022001400041245017700055210006900232260007100301300001400372490000700386520191400393100002102307700001702328700001702345700001702362700002002379856012502399       2010                        eng d  a1528-748300aStructural diversity in partially fluorinated metal organic frameworks (F-MOFs) composed of divalent transition metals, 1,10-phenanthroline, and fluorinated carboxylic acid0 aStructural diversity in partially fluorinated metal organic fram  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR  a1351-13630 v103 a<p>Seven new partially fluorinated metal-organic frameworks (F-MOFs) have been synthesized under different solvothermal conditions (H(2)O or N,N-dimethylformamide (DMF)) from transition metal cations [Zn(II), Co(II), and Mn(II)], 1,10-phenanthroline (phen), and 4,4'-(hexafluoroisopropylidene) bis(benzoic acid) (C(17)H(10)F(6)O(4), H(2)hfbba) to determine the influence of reaction conditions on the formation of metal-organic frameworks. This family of materials displays a striking degree of structural similarity depending on the solvent of synthesis. Of the seven materials, two contain three-dimensional connectivity: Co(3)(hfbba)(6)(phen)(2) (F-MOF-6) and Mn(3)(hfbba)(6)(Phen)(2) (F-MOF-10). Three materials are one-dimensional structures: Zn(hfbba)(0.5)(phen)(HCO(2)) (F-MOF-8), Mn(Hhfbba)(2)(Phen) (F-MOF-11), and [Mn(hfbba)(2)(dm-phen)]center dot(H(2)O) (F-MOF-11A). Lastly, Co(hfbba)(phell)(2)center dot 2(H(2)hfbba)(H(2)O)(HCO(2)) (F-MOF-7) and Zn(hfbba)(phen)(2)center dot 2(H(2)hfbba) (H(2)O)-(HCO(2)) (F-MOF-9) are discrete zero-dimensional molecular complexes. F-MOF-6 and -10, which feature it three-dimensional (3D) framework with pcu topolgy are formed in DMF like F-MOF-8 and at 85 degrees C. The remaining F-MOFs are formed by a solvothermal reaction at 120 degrees C in water. F-MOF-7 and -9 are isostructural discrete zero-dimensional molecular complexes (a similar to 19.5; b similar to 13.7; c similar to 26.2/29.6 angstrom; beta similar to 99.9/120.04; V similar to 6840 angstrom(3)). All these F-MOFs were structurally determined by single-crystal X-ray diffraction. Solid-state properties such its UV-vis and the thermal stability of F-MOF-6 to -11A have also been studied. Insight into the factors influencing the preferred crystallization of a specific complex over others has been obtained from full quantum chemical (QM) calculations using density functional theory (DFT).</p>1 aPachfule, Pradip1 aDey, Chandan1 aPanda, Tamas1 aVanka, Kumar1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/structural-diversity-partially-fluorinated-metal-organic-frameworks-f-mofs-composed-001507nas a2200181   4500008004100000022001400041245012300055210006900178260007100247300001400318490000700332520078300339100002101122700001401143700001901157700002001176856012901196       2010                        eng d  a1528-748300aStructural, magnetic, and gas adsorption study of a two-dimensional tetrazole-pyrimidine based metal-organic framework0 aStructural magnetic and gas adsorption study of a twodimensional  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN  a2475-24780 v103 a<p>A new two-dimensional (2D) metal-organic framework, Cu-TP-1, has been synthesized under solvothermal conditions (DMF) from the transition metal cation Cu(II) and 2-tetrazole pyrimidine (C5H5N6, H-TP). The structure has been determined by single crystal X-ray crystallography which shows a (6,3) honeycomb 2D net with perpendicular one-dimensional channels. Permanent porosity of Cu-TP-1 has been determined by the nitrogen adsorption isotherm. Cu-TP-1 show interesting H-2 and CO2 uptake. CO2 uptake of Cu-TP-1 (at 298 K, 1 atm pressure) is seen to be comparable to the recently reported ZIF-95 which outperforms ZIF-100 and BPL carbon. The magnetic properties show an antiferromagnetically coupled Cu ... Cu interaction down to 8 K with a Weiss temperature around 108 K.</p>1 aPachfule, Pradip1 aDas, Raja1 aPoddar, Pankaj1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/structural-magnetic-and-gas-adsorption-study-two-dimensional-tetrazole-pyrimidine-based-002521nas a2200181   4500008004100000022001400041245009900055210006900154260011000223300001400333490000700347520177900354100002102133700001702154700001702171700002002188856013102208       2010                        eng d  a1466-803300aSynthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)0 aSynthesis and structural comparisons of five new fluorinated met  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN  a1600-16090 v123 a<p>A series of fluorinated metal-organic frameworks (F-MOFs) have been successfully synthesized under hydrothermal condition using 4,40-(hexafluoroisopropylidene) bis(benzoic acid) (C(17)H(10)F(6)O(4), H(2)hfbba) as a flexible dicarboxylate building block, Cu(+2) and various heterocyclic co-ligands. These F-MOFs formulated as [Cu(hfbba)(phen)(2)]center dot 2(H(2)hfbba)(H(2)O)(HCO(2)) (F-MOF-1), [Cu(hfbba)(2)(2,2'-bipy) 2(H(2)O)] (F-MOF-2), [Cu(hfbba)(4,4'-dime-2,2'-bipy)(HCO(2))]center dot(hfbba)(H(2)O) (F-MOF-3), [Cu(2)(hfbba)(2)(3-mepy)(2)]center dot(DMF) 2(3-mepy) (F-MOF-4), and [Cu(hfbba)(2)(phen)(2)]center dot 0.5(DMF) (F-MOF5) (hfbba = 4,4'-(Hexafluoroisopropylidene) bis(benzoate), phen 1,1'-phenanthroline; 2,2'-bipy 2,2'-bipyridine; 4,4'dime-2,2'-bipy 4,4'-dimethyl 2,2'-bipyridine; 3-mepy 3-methyl-pyridine and DMF dimethyl formamide) display interesting H-bonded, 1D and 2D structural features. All these F-MOFs were structurally determined by single-crystal X-ray diffraction. F-MOF-1 and 5 form a distorted octahedral Cu(+2) secondary building unit (SBU). F-MOF-5 forms a one-dimensional architecture constructed from Cu(2+) ions bridged by phen anions and two types of 4 hfbba ligands while in F-MOF-1, two among the three acid co-ligands are not coordinated with Cu(2+) ions. F-MOF-2 displays dinuclear SBUs within the three-dimensional frameworks whereas F-MOF-3 displays mononuclear SBUs and forms a one-dimensional chain. F-MOF-4 display a interesting 2D framework with conventional Cu(2)(CO(2))(4) paddle wheel SBU. In the crystal structures four hfbba ligands, each coordinated to a dicopper paddlewheel unit via one of their carboxylate groups. Solid-state properties such as UV-vis and thermal stability of F-MOF-1-5 have also been studied.</p>1 aPachfule, Pradip1 aDey, Chandan1 aPanda, Tamas1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/synthesis-and-structural-comparisons-five-new-fluorinated-metal-organic-frameworks-f-mofs-001104nas a2200193   4500008004100000022001400041245011100055210006900166260011000235300001400345490000700359520032500366100001700691700002100708700001600729700001900745700002000764856012600784       2011                        eng d  a1359-734500aAmino functionalized zeolitic tetrazolate framework (ZTF) with high capacity for storage of carbon dioxide0 aAmino functionalized zeolitic tetrazolate framework ZTF with hig  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN  a2011-20130 v473 a<p>A three dimensional -NH(2) functionalized Zeolitic Tetrazolate Framework (ZTF-1) has been reported. The framework adopts a dia topology (M-L-M angle is close to 156 degrees). ZTF-1 shows high CO(2) (273 K) and H(2) (77 K) uptake due to the presence of the free -NH(2) group and uncoordinated tetrazolate nitrogen.</p>1 aPanda, Tamas1 aPachfule, Pradip1 aChen, Yifei1 aJiang, Jianwen1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/amino-functionalized-zeolitic-tetrazolate-framework-ztf-high-capacity-storage-carbon-001410nas a2200181   4500008004100000022001400041245015200055210006900207260011000276300001600386490000700402520061200409100002101021700001601042700001901058700002001077856013101097       2011                        eng d  a0959-942800aExperimental and computational approach of understanding the gas adsorption in amino functionalized interpenetrated metal organic frameworks (MOFs)0 aExperimental and computational approach of understanding the gas  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT  a17737-177450 v213 a<p>Two isostructural, three dimensional, interpenetrated, amino (-NH2) functionalized Metal Organic Frameworks [Cd(ANIC)(2)] (Cd-ANIC-1) and [Co(ANIC)(2)] (Co-ANIC-1) with amine-lined pores have been reported. The framework adopts dia topology with interpenetration. Cd-ANIC-1 and Co-ANIC-1 show high CO2 (273 K) and H-2 (77 K) uptake due to the presence of free -NH2 groups and framework interpenetration. The effect of interpenetration and amino functionalization on gas uptake properties of MOFs has been analysed experimentally and computationally, in the isostructural MOFs Cd-ANIC-1 and Co-ANIC-1.</p>1 aPachfule, Pradip1 aChen, Yifei1 aJiang, Jianwen1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/experimental-and-computational-approach-understanding-gas-adsorption-amino-functionalized-001280nas a2200193   4500008004100000022001400041245011800055210006900173260011000242300001400352490000700366520048800373100002400861700002500885700002100910700002100931700002000952856011400972       2011                        eng d  a1466-803300aHydrogen bond directed honeycomb-like porous network structure of tris (bipyridyl-glycoluril)cobalt(III) chloride0 aHydrogen bond directed honeycomblike porous network structure of  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL  a5289-52910 v133 a<p>The [Co(bpg)3]Cl-3 complex (1), where bpg = 4b, 5, 7, 7a-tetrahydro4b,7a-epiminomethan-oimino-6H-imidazo [4,5-f][1,10]-phenanthroline-6,13-dione has been synthesized and characterized by various spectroscopic techniques and single crystal X-ray diffraction. The combination of bipyridyl-glycoluril (bpg) ligands and cobalt ion self-organise to form a honeycomb-like porous network structure resulting in the formation of zeolite like channels which adsorb gases, is described.</p>1 aKawade, Vitthal, A.1 aKumbhar, Avinash, S.1 aErxleben, Andrea1 aPachfule, Pradip1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/hydrogen-bond-directed-honeycomb-porous-network-structure-tris-bipyridyl-001288nas a2200157   4500008004100000022001400041245010400055210006900159260007100228300001400299490000700313520064100320100002100961700002000982856012801002       2011                        eng d  a1528-748300aPorous nitrogen rich cadmium-tetrazolate based metal organic framework (MOF) for H-2 and CO2 uptake0 aPorous nitrogen rich cadmiumtetrazolate based metal organic fram  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC  a5176-51810 v113 a<p>The highly porous nitrogen rich metal organic framework [Cd-3(4-TP)(6)] (Cd-4TP-1) was synthesized solvothermally from the predesigned organic building block 4-tetrazole pyridine (4-TP) and Cd(II) as metal center using DMF as solvent. Cd-4TP-1 has a three-dimensional porous architecture where all the binding sites of Cd(II) are exclusively occupied by the nitrogen atoms from the mu(2)-tetrazolyl group or the pyridyl functionality of the 4-TP ligands. Cd-4TP-1 has Brunauer-Emmett-Teller (BET) and Langmuir surface areas of 472.2 and 728.6 m(2)/g, respectively, and shows 1.1 wt % H-2 (77 K) and 2.7 mmol/g CO2 uptake (273 K).</p>1 aPachfule, Pradip1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/porous-nitrogen-rich-cadmium-tetrazolate-based-metal-organic-framework-mof-h-2-and-co2-002095nas a2200229   4500008004100000022001400041245009200055210006900147260007100216300001600287490000800303520124300311100002201554700002001576700002001596700002001616700002101636700002401657700002901681700002901710856012601739       2011                        eng d  a1932-744700aSelectivity tailoring in liquid phase oxidation over MWNT-Mn3O4 nanocomposite catalysts0 aSelectivity tailoring in liquid phase oxidation over MWNTMn3O4 n  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG  a15440-154480 v1153 a<p>Highly selective multiwalled nanotubes (MWNT)-Mn3O4 nano-composite catalyst was designed for liquid phase oxidation of p-cresol, which gave highest selectivity of 90% to the first step oxidation product, p-hydroxy benzyl alcohol. Mn3O4 nanoparticles and MWNT-Mn3O4 nanocomposites were synthesized by coprecipitation route using mixed precursors under controlled conditions. The phase purity of Mn3O4 and the formation of MWNT-Mn3O4 nanocomposites were confirmed by X-ray diffraction, Raman spectroscopy, and X-ray photoelectron spectroscopy. High-resolution transmission electron microscopy revealed the selective exposure of (101) and (001) planes of Mn3O4 nanoparticles in the MWNT-Mn3O4 composite, while lowering in oxidizing capacity of MWNT-Mn3O4 nanocomposite confirmed by cyclic voltametry was due to incorporation of electron rich MWNT. Thus, selectivity tuning of the new material (MWNT-Mn3O4 nanocomposite) was found to be due to alteration in both geometric as well as electronic properties. A plausible reaction pathway also has been proposed involving the predominant role of nucleophilic lattice oxygen (O2-) species due to exposure of particular crystal planes giving highest selectivity to p-hydroxy benzyl alcohol.</p>1 aBiswal, Mandakini1 aDhas, Vivek, V.1 aMate, Vivek, R.1 aBanerjee, Abhik1 aPachfule, Pradip1 aAgrawal, Kanika, L.1 aOgale, Satishchandra, B.1 aRode, Chandrashekhar, V.  uhttps://library.ncl.res.in/content/selectivity-tailoring-liquid-phase-oxidation-over-mwnt-mn3o4-nanocomposite-catalysts-002511nas a2200181   4500008004100000022001400041245013100055210006900186260007100255300001400326490000700340520177900347100002102126700001402147700001902161700002002180856012902200       2011                        eng d  a1528-748300aSolvothermal synthesis, structure, and properties of metal organic framework isomers derived from a partially fluorinated link0 aSolvothermal synthesis structure and properties of metal organic  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR  a1215-12220 v113 a<p>Solvothermal reactions of Cu(NO3)(2) center dot 3H(2)O with 4,4'-(hexafluoroisopropylidene) bis(benzoic acid) (C17H10F6O4, H(2)hfbba) and terminal monodentate ligand 3-methyl pyridine (3-picoline/3-mepy) in the presence of N, N-dimethyl formamide (DMF) and N,N-diethyl formamide (DEF) solvents gave rise to two structurally different two-dimensional (2D) fluorinated metal organic frameworks (F-MOFs). The effect of the choice of solvent has been clearly reflected in the structures obtained. The F-MOFs reported in this paper are formulated as [Cu-2(hfbba)(2)(3-mepy)(2)] center dot (DMF)(2)(3-mepy) (F-MOF-4), [Cu-2(hfbba)(2)(3-mepy)(2)] (Cu-F-MOF-4B), and [Zn-2(hfbba)(2)(3-mepy)(2)] center dot (3-mepy) (Zn-F-MOF-4B) which displays interesting 2D structures with and without interdigitation depending on the solvent used. The structures of these F-MOFs have been determined by X-ray crystallography and further identified by IR spectroscopy, powder X-ray diffraction (PXRD), and thermogravimetric analysis (TGA). The effect of interdigitation has been reflected in the gas adsorption and magnetic properties of these F-MOFs. These F-MOFs also show comparable H-2 and CO2 uptake depending on their structural variation. Temperature-dependent magnetic susceptibility measurements over a wide range of temperatures exhibit dominantly short-range antiferromagnetic behavior, with weak ferromagnetic behavior showing up at very low temperatures, which is evident from opening of the hysteresis loop with a finite value of coercivity in both F-MOF-4 and Cu-F-MOF-4B. We observed a smaller value of mu(eff) per Cu atom and coercivity in Cu-F-MOF-4B than the F-MOF-4 due to relatively larger distances between the neighboring dicopper paddlewheel secondary building unit.</p>1 aPachfule, Pradip1 aDas, Raja1 aPoddar, Pankaj1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/solvothermal-synthesis-structure-and-properties-metal-organic-framework-isomers-derived-001368nas a2200205   4500008004100000022001400041245010800055210006900163260010200232300001200334490000800346520054500354653001600899653002100915653002900936653002600965100002100991700002001012856013001032       2011                        eng d  a0011-389100aStructural and gas adsorption study of a two-dimensional copper-tetrazole based metal-organic framework0 aStructural and gas adsorption study of a twodimensional copperte  aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACAD SCIENCEScOCT  a894-8990 v1013 a<p>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'-dimethy1-2,2'-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.</p>10aCO2 capture10aHydrogen storage10ametal-organic frameworks10amicroporous materials1 aPachfule, Pradip1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/structural-and-gas-adsorption-study-two-dimensional-copper-tetrazole-based-metal-organic-002006nas a2200193   4500008004100000022001400041245013000055210006900185260007100254300001200325490000700337520124800344100001701592700001401609700002101623700001901644700002001663856012901683       2011                        eng d  a1528-748300aStructural and selective gas adsorption studies of polyoxometalate and tris(ethylenediamine) cobalt(III) based ionic crystals0 aStructural and selective gas adsorption studies of polyoxometala  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN  a139-1460 v113 a<p>Seven new ionic solids built on polyoxometalate anions and [Co(en)(3)](3+) cations, namely, [Co(en)(3)Mo(8)O(26)(H(3)O)-(Cl)](DMF)(4)(H(2)O) (Co-Mo(8)-DMF), [alpha-PW(12)O(40)][Co(en)(3)]center dot 6DMF (Co-W(12)P-DMF), [alpha-PW(12)O(40)][Co(en)(3)]center dot 6DEF (Co-W(12)P-DEF), [alpha-PMo(12)O(40)][Co(en)(3)]center dot 5.5DMF (Co-Mo(12)P-DMF), [alpha-PMo(12)O(40)][Co(en)(3)]center dot 6DEF (Co-Mo(12)P-DEF), [alpha-SiW(12)O(40)]-[Co(en)(3)](3/2)[Cl](1/2)center dot 6DMF center dot 3H(2)O (Co-W(12)Si-DMF), and [alpha-SiW(12)O(40)][Co(en)(3)]center dot 6DEF (Co-W(12)Si-DEF), have been synthesized from nonaqueous (DMF/DEF) media and characterized by single-crystal X-ray diffraction. We attempt to understand if [Co(en)(3)](3+) cations used in these reaction systems play a crucial role in controlling the assembly of these crystals. These ionic solids, after removal of the DMF or DEF molecules, are found to exhibit size selective H(2) adsorption properties over N(2). The amount of hydrogen adsorption was influenced by POM anion types and their orientations. CoMo(12)P-DEF has the highest (0.9 wt %) H(2) uptake, and CoW(12)P-DEF has the lowest (0.4 wt %) uptake among the series when the adsorbate pressure approached 1 atm.</p>1 aDey, Chandan1 aDas, Raja1 aPachfule, Pradip1 aPoddar, Pankaj1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/structural-and-selective-gas-adsorption-studies-polyoxometalate-and-trisethylenediamine-002047nas 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-002015nas a2200181   4500008004100000022001400041245012300055210006900178260007100247300001400318490000700332520129100339100002101630700001401651700001901665700002001684856012901704       2011                        eng d  a0020-166900aStructural, magnetic, and gas adsorption study of a series of partially fluorinated metal-organic frameworks (HF-MOFs)0 aStructural magnetic and gas adsorption study of a series of part  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY  a3855-38650 v503 a<p>Four new partially fluorinated metal organic frameworks (HF-MOFs) have been synthesized under different solvothermal conditions (H2O or dimethylformamide (DMF)) from transition metal cations [Co2+ and Mn2+], 3-methyl pyridine (3-mepy) and 4,4'-(hexafluoroisopropylidene) bis(benzoic acid) (C17H10F6O4, H(2)hfbba), to determine the influence of reaction conditions on the formation of MOFs. This family of materials displays a striking degree of structural similarity depending on the solvent of synthesis. HF-MOFs synthesized from H2O [Co-HFMOF-W, Co(liffiba)(3-mepy)(H2O) and Mn-HFMOF-W, Mn(hfbba)(3-mepy)(H2O)] contain three-dimensional connectivity whereas HF-MOFs synthesized from DmF Co-HFMOF-D, [Co-2(hfbba)(2)(3-mepy)(2)]center dot(DMF)(3) and Mn-HFMOE-D, [Mn-2(hfbba)(2)(3-mepy)]center dot(H2O) are two-dimensional in nature. Co-HFMOF-W and Mn-HFMOF-W are iso-structural polymeric materials. Thermal gravimetric analysis performed on as-synthesized HP-MOFs revealed that these compounds have high thermal stability (similar to 350 degrees C). The continuous decrease of the chi T product with decreasing T for Co-HFMOF-D and Co-HFMOF-W respectively indicates the presence of antiferromagnetic exchange interaction between two Co2+ (S = 3/2) metal centers within a duster.</p>1 aPachfule, Pradip1 aDas, Raja1 aPoddar, Pankaj1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/structural-magnetic-and-gas-adsorption-study-series-partially-fluorinated-metal-organic-002010nas a2200193   4500008004100000022001400041245009200055210006900147260007100216300001400287490000700301520128800308100002001596700002001616700002101636700001501657700002001672856012401692       2011                        eng d  a0020-166900aStructure and gas sorption behavior of a new three dimensional porous magnesium formate0 aStructure and gas sorption behavior of a new three dimensional p  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB  a1392-14010 v503 a<p>A new three-dimensional magnesium formate polymorph, namely, gamma-[Mg-3(O2CH)(6)] has been synthesized via in situ formate anion generation method. gamma-Mg-formate crystallizes in space group Pbcn, and structural determination by X-ray single crystal diffraction reveals a three-dimensional network of Mg2+ linked by formate anions. All formate anions possess similar binding mode to the metal center with one oxygen of a particular formate anion binds to one metal center (mu(1) oxygen) and other oxygen binds to two metal centers (mu(2) oxygen). N-2 adsorption studies indicate that the framework displays permanent porosity. The specific surface area of gamma-Mg-formate (BET, 120 m(2) gm(-1)) is lower than the alpha- polymorph (BET, 150 m(2) gm(-1)). However, the initial hydrogen uptake of gamma-Mg-formate reached almost 1.0 wt % when the adsorbate pressure approached 760 Torr at 77 K. This is higher than the hydrogen uptake of alpha-Mg-formate (0.6 wt %). gamma-Mg-formate, shows a moderate affinity and capacity for CO2 (3.4 angstrom kinetic diameter) at 298 K. The CO2 uptake at 760 Torr is 2.01 mmol gm(-1)(47.0 cc gm(-1)). Although this CO2 uptake is somewhat modest, it compares well with the CO2 uptake of several Mg-MOFs and ZIFs reported in the literature.</p>1 aMallick, Arijit1 aSaha, Subhadeep1 aPachfule, Pradip1 aRoy, Sudip1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/structure-and-gas-sorption-behavior-new-three-dimensional-porous-magnesium-formate-001301nas a2200169   4500008004100000022001400041245012800055210006900183260011000252300001400362490000700376520056200383100001700945700002100962700002000983856012801003       2011                        eng d  a1359-734500aTemplate induced structural isomerism and enhancement of porosity in manganese(II) based metal-organic frameworks (Mn-MOFs)0 aTemplate induced structural isomerism and enhancement of porosit  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN  a7674-76760 v473 a<p>Three new metal-organic framework isomers have been synthesized by using the organic linker 5-triazole isophthalic acid and Mn(NO3)(2)center dot xH(2)O. Structural conversions from non-porous to porous MOFs due to the template effect have been observed. The cross-sectional pore apertures of the resulting Mn-MOFs are comparable to the molecular dimensions of the template (pyrazine and 4,40-bipyridine). The periodic increased porosity in Mn-MOFs depending on the size of the template used has been further confirmed by the CO2 adsorption isotherms.</p>1 aPanda, Tamas1 aPachfule, Pradip1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/template-induced-structural-isomerism-and-enhancement-porosity-manganeseii-based-metal-002184nas a2200229   4500008004100000022001400041245012900055210006900184260007700253300001600330490000700346520130900353653001101662653002101673653002901694653002601723653000901749100002101758700002301779700002001802856013201822       2012                        eng d  a0947-653900aControl of porosity by using isoreticular zeolitic imidazolate frameworks (IRZIFs) as a template for porous carbon synthesis0 aControl of porosity by using isoreticular zeolitic imidazolate f  aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcSEP  a11399-114080 v183 a<p>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.</p>10aCarbon10aHydrogen storage10ametal-organic frameworks10amicroporous materials10azinc1 aPachfule, Pradip1 aBiswal, Bishnu, P.1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/control-porosity-using-isoreticular-zeolitic-imidazolate-frameworks-irzifs-template-porous-001739nas a2200253   4500008004100000022001400041245009700055210006900152260007700221300001200298490000700310520084200317653001101159653001301170653002101183653002901204653002601233653002201259100002101281700001601302700001901318700002001337856012801357       2012                        eng d  a0947-653900aFluorinated metal-organic frameworks: advantageous for higher H-2 and CO2 adsorption or not?0 aFluorinated metalorganic frameworks advantageous for higher H2 a  aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJAN  a688-6940 v183 a<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>10acobalt10afluorine10aHydrogen storage10ametal-organic frameworks10amicroporous materials10aX-ray diffraction1 aPachfule, Pradip1 aChen, Yifei1 aJiang, Jianwen1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/fluorinated-metal-organic-frameworks-advantageous-higher-h-2-and-co2-adsorption-or-not-002013nas a2200181   4500008004100000022001400041245013200055210006900187260011000256300001200366490000600378520124200384100001401626700002101640700002001661700001901681856013101700       2012                        eng d  a2040-336400aMetal and metal oxide nanoparticle synthesis from metal organic frameworks (MOFs): finding the border of metal and metal oxides0 aMetal and metal oxide nanoparticle synthesis from metal organic   aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcDEC  a591-5990 v43 a<p>Herein, for the first time, we report a generalized strategy for the successful synthesis of highly crystalline metal and metal oxide nanoparticles embedded in a carbon matrix by the controlled thermolysis of metal organic frameworks (MOFs). The rationalized synthesis strategy of a broad range of metal and metal oxides nanoparticles, such as Cu/CuO, Co/Co3O4, ZnO, Mn2O3, MgO and CdS/CdO, by thermolysis of MOFs demonstrates for the first time that metal ions with a reduction potential of -0.27 volts or higher present in MOFs always form pure metal nanoparticles during thermolysis in N-2, whereas metal ions with a reduction potential lower than -0.27 volts form metal oxide nanoparticles during thermolysis in N-2. Another point of interest is the fact that we have found a unique relationship between the nanoparticle size and the distance between the secondary building units inside the MOF precursors. Interestingly, the crystallinity of the carbon matrix was also found to be greatly influenced by the environment (N-2 and air) during thermolysis. Moreover, these nanoparticles dispersed in a carbon matrix showed promising H-2 and CO2 adsorption properties depending on the environment used for the thermolysis of MOFs.</p>1 aDas, Raja1 aPachfule, Pradip1 aBanerjee, Rahul1 aPoddar, Pankaj  uhttps://library.ncl.res.in/content/metal-and-metal-oxide-nanoparticle-synthesis-metal-organic-frameworks-mofs-finding-border-001170nas a2200181   4500008004100000245020700041210006900248260000800317300001400325490000700339520040900346100002500755700001800780700002100798700002000819700001900839856013000858       2012                        eng d00aMetal [Zn(II), Cd(II)], 1,10-phenanthroline containing coordination polymers constructed on the skeleton of polycarboxylates: synthesis, characterization, microstructural, and CO2 gas adsorption studies0 aMetal ZnII CdII 110phenanthroline containing coordination polyme  cNOV  a5311-53190 v123 a<p>{Four new coordination polymers have been obtained by the reaction of metal [Zn(II), Cd(II)], 1,10-phenanthroline separately with two carboxylic acids, [biphenyl-4,4'-dicarboxylic acid (4,4'-H(2)BDA),and 4,4'-azodibenzoic acid (4,4'-H(2)ADA)]. The crystal structures of the resulting complexes of type {[Zn(4,4'-BDA)(Phen)(2)center dot HCON(CH3)(2)}(n) (1), {[Cd(4,4'-BDA)(Phen)](2)center dot H2O\</p>1 aYadav, Pramod, Kumar1 aKumari, Niraj1 aPachfule, Pradip1 aBanerjee, Rahul1 aMishra, Lallan  uhttps://library.ncl.res.in/content/metal-znii-cdii-110-phenanthroline-containing-coordination-polymers-constructed-skeleton-001574nas a2200193   4500008004100000022001400041245012400055210006900179260011000248300001400358490000700372520077000379100002201149700002001171700002101191700002001212700001801232856013001250       2012                        eng d  a1477-922600aNitrogen-rich porous covalent imine network (CIN) material as an efficient catalytic support for C-C coupling reactions0 aNitrogenrich porous covalent imine network CIN material as an ef  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcDEC  a1304-13110 v413 a<p>In an effort to expand the realm of possibilities of nitrogen-rich porous materials that could be used in catalysis, herein we report the synthesis of a new highly nitrogen rich (ca. 45%) porous covalent imine network (CIN-1) material employing simple Schiff base chemistry and further grafting its surface with palladium. Pd-loaded CIN-1 support acts as a truly heterogeneous catalyst towards Suzuki C-C coupling reaction between aryl halides with arylboronic acids. High surface area and excellent accessibility of the catalytic sites make it very efficient for heterogeneous catalysis. The stability of the catalyst due to intimate contact between nitrogen-rich organic support and metal allows several reuses with only a minor loss in catalytic activity.</p>1 aBhunia, Manas, K.1 aDas, Swapan, K.1 aPachfule, Pradip1 aBanerjee, Rahul1 aBhaumik, Asim  uhttps://library.ncl.res.in/content/nitrogen-rich-porous-covalent-imine-network-cin-material-efficient-catalytic-support-c-c-001066nas a2200181   4500008004100000022001400041245012000055210006900175260011000244300001400354490000700368520029300375100002100668700002100689700002400710700002000734856013000754       2012                        eng d  a1359-734500aOne-dimensional confinement of a nanosized metal organic framework in carbon nanofibers for improved gas adsorption0 aOnedimensional confinement of a nanosized metal organic framewor  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcDEC  a2009-20110 v483 a<p>The loading of a Zn-terephthalate based MOF in the inner cavity as well as on the outer walls of a hollow carbon nanofiber (CNF) creates MOF@CNF hybrids. This hybrid ``MOF@CNF'' displayed improved thermal stability as well as gas adsorption compared to the individual counterparts.</p>1 aPachfule, Pradip1 aBalan, Beena, K.1 aKurungot, Sreekumar1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/one-dimensional-confinement-nanosized-metal-organic-framework-carbon-nanofibers-improved-001105nas a2200205   4500008004100000022001400041245013900055210006900194260007100263300001400334490000700348520029400355100001800649700002100667700001700688700002000705700002700725700001700752856013000769       2013                        eng d  a0020-166900aAzide-functionalized lanthanide-based metal-organic frameworks showing selective CO2 gas adsorption and postsynthetic cavity expansion0 aAzidefunctionalized lanthanidebased metalorganic frameworks show  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR  a3588-35900 v523 a<p>We report herein selective CO2 gas adsorption by two azide-functionalized lanthanide-based metal-organic frameworks (MOFs). This work also demonstrates that azide-functionalized MOFs can be used for postsynthetic cavity expansion, further corroborated by enhanced gas-sorption data.</p>1 aGanguly, Sumi1 aPachfule, Pradip1 aBala, Sukhen1 aGoswami, Arijit1 aBhattacharya, Sudeshna1 aMondal, Raju  uhttps://library.ncl.res.in/content/azide-functionalized-lanthanide-based-metal-organic-frameworks-showing-selective-co2-gas-001198nas a2200169   4500008004100000245015300041210006900194260000800263300001400271490000700285520053500292100002000827700001700847700002100864700001700885856012600902       2013                        eng d00aComprehensive study on mutual interplay of multiple V-shaped ligands on the helical nature of a series of coordination polymers and their properties0 aComprehensive study on mutual interplay of multiple Vshaped liga  cDEC  a5487-54980 v133 a<p>{V-shaped ligands are commonly used for helical coordination polymer synthesis. However, employment of multiple V-shaped ligands does not always lead to a helical network. The mutual interplay of two V-shaped ligands, which is neither easily predictable nor well documented, plays a major role directing the self-assembly of the resultant network. We report here the construction of a series of novel coordination polymers {[Ni(OBA)(H2MDP)(H2O)]center dot(DMF)(3)}(n) (1),{[Ni(FBA)(H2MDP)]center dot(H2O)(3)center dot(DMF)\</p>1 aGoswami, Arijit1 aBala, Sukhen1 aPachfule, Pradip1 aMondal, Raju  uhttps://library.ncl.res.in/content/comprehensive-study-mutual-interplay-multiple-v-shaped-ligands-helical-nature-series-000919nas a2200181   4500008004100000245015300041210006900194260000800263300001200271490000700283520022100290100002700511700001600538700002100554700002000575700002300595856011900618       2013                        eng d00aFour 3D Cd(II)-based metal organic hybrids with different N,N `-donor spacers: syntheses, characterizations, and selective gas adsorption properties0 aFour 3D CdIIbased metal organic hybrids with different NN donor   cFEB  a731-7390 v133 a<p>{Four new metal organic frameworks with bivalent cadmium, disodium succinate (Na(2)suc), and four different N,N'-donor ligands, i.e., {[Cd(L1)(suc)]center dot(H2O)(3)}(n) (1), {[Cd(L2)(suc)]center dot(H2O)(2)\</p>1 aBhattacharya, Biswajit1 aDey, Rajdip1 aPachfule, Pradip1 aBanerjee, Rahul1 aGhoshal, Debajyoti  uhttps://library.ncl.res.in/content/four-3d-cdii-based-metal-organic-hybrids-different-nn-donor-spacers-syntheses-001783nas a2200181   4500008004100000022001400041245011400055210006900169260007100238300001400309490000700323520104600330100003101376700002101407700002001428700002401448856012901472       2013                        eng d  a1528-748300aPorous carbons from nonporous MOFs: influence of ligand characteristics on intrinsic properties of end carbon0 aPorous carbons from nonporous MOFs influence of ligand character  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT  a4195-41990 v133 a<p>Synthesis of porous carbons on direct carbonization of nonporous Zn-based MOFs has been achieved without using any additional carbon precursor. The effect of ligand nature on the resulting carbon porosity has been studied systematically using the MOFs synthesized from rigid and flexible ligands. The linear relations between Zn/C ratio of the MOF versus surface area of the resulting carbon, micro-porosity versus H-2 uptake achieved in these carbons, and surface area versus specific capacitance of the end carbons have been verified from the gas adsorption, molecular composition, and electrochemical studies, respectively. Cyclic voltammetry and charge-discharge cycling have been carried out to study the capacitive behavior of the carbons. The interdependence of capacitive behavior on the surface area has been analyzed using data derived from N-2 adsorption isotherms and charge-discharge curves. Among the carbons synthesized, C-MOF-2 shows maximal surface area of 1378 m(2)/g with a specific capacitance of 170 F/g at 1 A/g.</p>1 aAiyappa, Harshitha, Barike1 aPachfule, Pradip1 aBanerjee, Rahul1 aKurungot, Sreekumar  uhttps://library.ncl.res.in/content/porous-carbons-nonporous-mofs-influence-ligand-characteristics-intrinsic-properties-end-001702nas a2200253   4500008004100000022001400041245015800055210006900213260007700282300001200359490000700371520072600378653001501104653002101119653001501140653003001155653003001185100002101215700002401236700002401260700002401284700002001308856012001328       2013                        eng d  a0947-653900aPorous-organic-framework-templated nitrogen-rich porous carbon as a more proficient electrocatalyst than Pt/C for the electrochemical reduction of oxygen0 aPorousorganicframeworktemplated nitrogenrich porous carbon as a   aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJAN  a974-9800 v193 a<p>Porous nitrogen-rich carbon (POF-C-1000) that was synthesized by using a porous organic framework (POF) as a self-sacrificing host template in a nanocasting process possessed a high degree of graphitization in an ordered structural arrangement with large domains and well-ordered arrays of carbon sheets. POF-C-1000 exhibits favorable electrocatalytic activity for the oxygen-reduction reaction (ORR) with a clear positive shift of about 40 mV in the onset potential compared to that of a traditional, commercially available Pt/C catalyst. In addition, irrespective of its moderate surface area (785 m2?g-1), POF-C-1000 showed a reasonable H2 adsorption of 1.6 wt?% (77 K) and a CO2 uptake of 3.5 mmol?g-1 (273 K).</p>10aAdsorption10aElectrochemistry10afuel cells10aoxygen-reduction reaction10aporous organic frameworks1 aPachfule, Pradip1 aDhavale, Vishal, M.1 aKandambeth, Sharath1 aKurungot, Sreekumar1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/porous-organic-framework-templated-nitrogen-rich-porous-carbon-more-proficient-001000nas a2200181   4500008004100000245009700041210006900138260000800207300001800215490000700233520033900240100001700579700001400596700002100610700003500631700002200666856013000688       2013                        eng d00aTransition-metal-free multicomponent reactions involving arynes, N-heterocycles, and isatins0 aTransitionmetalfree multicomponent reactions involving arynes Nh  cAUG  a10040–100430 v523 a<p>Mix and match: With isoquinoline as the nucleophilic trigger, multicomponent reactions afforded spirooxazino isoquinoline derivatives, proceeding through 1,4-dipolar intermediates. The use of pyridine as a nucleophile furnished indolin-2-one derivatives, with the reaction likely proceeding through a pyridylidene intermediate.</p>1 aBhunia, Anup1 aRoy, Tony1 aPachfule, Pradip1 aRajamohanan, Pattuparambil, R.1 aBiju, Akkattu, T.  uhttps://library.ncl.res.in/content/transition-metal-free-multicomponent-reactions-involving-arynes-n-heterocycles-and-isatins01787nas a2200241   4500008004100000022001400041245013600055210006900191260007700260300001600337490000700353520085500360653002401215653001901239653002901258653002101287653002801308100001801336700002101354700002001375700001901395856013101414       2014                        eng d  a0947-653900aEvolution of an adenine-copper cluster to a highly porous cuboidal framework: solution-phase ripening and gas-adsorption properties0 aEvolution of an adeninecopper cluster to a highly porous cuboida  aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcSEP  a12262-122680 v203 a<p>The synthesis and directed evolution of a tetranu-clear copper cluster, supported by 8-mercapto-N9-propyladenine ligand, to a highly porous three-dimensional cubic framework in the solid state is reported. The structure of this porous framework was unambiguously characterized by Xray crystallography. The framework contains about 62% solvent-accessible void; the presence of a free exocyclic amino group in the porous framework facilitates reversible adsorption of gas and solvent molecules. Oriented growth of framework in solution was also tracked by force and scanning electron microscopy studies, leading to identification of an intriguing ripening process, over a period of 30 days, which also revealed formation of cuboidal aggregates in solution. The elemental composition of these cuboidal aggregates was ascertained by EDAX analysis.</p>10acuboidal frameworks10agas adsorption10ametal-organic frameworks10aOstwald ripening10asolution-phase ripening1 aVenkatesh, V.1 aPachfule, Pradip1 aBanerjee, Rahul1 aVerma, Sandeep  uhttps://library.ncl.res.in/content/evolution-adenine-copper-cluster-highly-porous-cuboidal-framework-solution-phase-ripening-001346nas a2200181   4500008004100000245015300041210006900194260000800263300001400271490000700285520063500292100001600927700002700943700002100970700002000991700002301011856013001034       2014                        eng d00aFlexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N, N ` linkers0 aFlexible dicarboxylate based pillarlayer metal organic framework  cDEC  a2305-23160 v163 a<p>{Dicarboxylate supported metal organic hybrids of Co(II), Zn(II) and Cd(II) have been synthesized using two different pyridyl based N, N' linkers having Schiff base functionalized site. The use of flexible dicarboxylate glutarate in designing such frameworks has created a marked diversity in topology. The different N, N' donor linkers also played an active part in the channel modification in the synthesized MOFs. The structural and topological diversity has been analyzed from the single crystal X-ray structure. Five compounds, {[Co(azpy)(glut)]center dot(CH3OH)}(n) (1), {[Co(meazpy)(glut)(H2O)(2)]center dot (H2O)(3)</p>1 aDey, Rajdip1 aBhattacharya, Biswajit1 aPachfule, Pradip1 aBanerjee, Rahul1 aGhoshal, Debajyoti  uhttps://library.ncl.res.in/content/flexible-dicarboxylate-based-pillar-layer-metal-organic-frameworks-differences-structure-000786nas a2200181   4500008004100000022001400041245011800055210006900173260011000242300001400352490000700366520001900373100002100392700002400413700002200437700002000459856012500479       2014                        eng d  a1359-734500aHighly stable covalent organic framework-Au nanoparticles hybrids for enhanced activity for nitrophenol reduction0 aHighly stable covalent organic frameworkAu nanoparticles hybrids  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN  a3169-31720 v503 a<p>{Gold [</p>1 aPachfule, Pradip1 aKandambeth, Sharath1 aDiaz, David, Diaz1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/highly-stable-covalent-organic-framework-au-nanoparticles-hybrids-enhanced-activity-002052nas a2200205   4500008004100000022001400041245007900055210006900134260011000203300001400313490000600327520126500333100002101598700002101619700002401640700002401664700002201688700002001710856011601730       2014                        eng d  a2050-748800aMultifunctional and robust covalent organic framework-nanoparticle hybrids0 aMultifunctional and robust covalent organic frameworknanoparticl  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAR  a7944-79520 v23 a<p>Highly dispersed Pd(0) nanoparticles were successfully immobilized into a stable, crystalline and porous covalent organic framework (COF), TpPa-1, by a solution infiltration method using NABH(4) as a reducing agent. High resolution and dark field TEM images confirmed the uniform loading of the Pd(0) nanoparticles into the TpPa-1 matrix without aggregation. This hybrid material exhibited excellent catalytic activity towards the Cu free Sonogashira, Heck and sequential one pot Heck-Sonogashira cross-coupling reactions under basic conditions, and with superior performance compared to commercially available Pd supported on activated charcoal (i.e., 1, 5 and 10 wt%). Additionally, the precursor Pd(II)-doped COF also displayed competitive catalytic activity for the intramolecular oxidative biaryl synthesis under acidic conditions. Both catalysts were found to be highly stable under the reaction conditions showing negligible metal leaching, non-sintering behavior, and good recyclability. To the best of our knowledge, the organic support used in this work, TpPa-1, constitutes the first COF matrix that can hold both Pd(0) nanoparticles and Pd(II) complex without aggregation for catalytic purposes under both highly acidic and basic conditions.</p>1 aPachfule, Pradip1 aPanda, Manas, K.1 aKandambeth, Sharath1 aShivaprasad, S., M.1 aDiaz, David, Diaz1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/multifunctional-and-robust-covalent-organic-framework-nanoparticle-hybrids-002210nas a2200181   4500008004100000245020300041210006900244260000800313300001200321490000600333520144100339100002701780700002401807700002101831700002101852700002301873856013201896       2014                        eng d00aSyntheses, X-ray structures, catalytic activity and magnetic properties of two new coordination polymers of Co(II) and Ni(II) based on benzenedicarboxylate and linear N,N `-donor Schiff base linkers0 aSyntheses Xray structures catalytic activity and magnetic proper  cAPR  a414-4250 v13 a<p>{Two isostructural coordination polymers based on Co(II) and Ni(II), {[M(azpy)(3)(p-bdc)(2)(H2O)(4)]center dot(CH3OH)(2)(H2O)(3)}(n) [where M = Co (1) and Ni (2); azpy = N,N'-bis-pyridin-4-ylmethylene-hydrazine and p-bdc = 1,4-benzenedicarboxylate], have been synthesized using mixed ligand systems at room temperature and characterized by single-crystal X-ray diffraction and other physicochemical methods. Structure determination reveals that both the complexes crystallize in the monoclinic space group C2/c and exhibit one-dimensional (1D) ladder like structures constructed by p-bdc and azpy ligands in which Schiff base (azpy) linkers serve as a bridging as well as pendent ligands. These pendent ligands are involved in H-bonding and pi-pi interactions with lattice water, methanol molecules and bridging azpy ligands, to form the 3D supramolecular structure. Notably, both the frameworks efficiently catalyze the Knoevenagel condensation reactions of a wide range of substituted benzaldehydes with active methylene compounds in heterogeneous medium under environmentally friendly conditions and the products were obtained in excellent yields. These catalysts were also found to exhibit excellent recyclability and re-usability without any significant loss of activity. A variable temperature magnetic study of both compounds was carried out and their magnetic properties justified on the basis of their crystal structure.</p>1 aBhattacharya, Biswajit1 aMaity, Dilip, Kumar1 aPachfule, Pradip1 aColacio, Enrique1 aGhoshal, Debajyoti  uhttps://library.ncl.res.in/content/syntheses-x-ray-structures-catalytic-activity-and-magnetic-properties-two-new-coordination-000983nas a2200181   4500008004100000022001400041245009400055210006900149260011000218300001400328490000700342520025500349100002000604700001900624700002100643700002000664856011700684       2014                        eng d  a1466-803300aVariation of CO2 adsorption in isostructural Cd(II)/Co(II) based MOFs by anion modulation0 aVariation of CO2 adsorption in isostructural CdIICoII based MOFs  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN  a5012-50200 v163 a<p>{A potential multidentate tris-pyridyl ligand has been synthesized, and later employed for the tailoring of four isostructural cadmium(II)/cobalt(II) two dimensional (2D) metal organic frameworks, [[ M(dmpt)(2)(X)(2)].xS](n), where S = solvent</p>1 aSingh, Udai, P.1 aNarang, Shikha1 aPachfule, Pradip1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/variation-co2-adsorption-isostructural-cdiicoii-based-mofs-anion-modulation-001116nas a2200193   4500008004100000022001400041245009300055210006900148260011000217300001200327490000700339520033400346100002900680700002400709700002100733700002300754700002000777856012500797       2015                        eng d  a1359-734500aBifunctional covalent organic frameworks with two dimensional organocatalytic micropores0 aBifunctional covalent organic frameworks with two dimensional or  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcNOV  a310-3130 v513 a<p>We report the successful incorporation of bifunctional (acid/base) catalytic sites in the crystalline organocatalytic porous COF (2,3-DhaTph). Due to the presence of acidic (catachol) and basic (porphyrin) sites, 2,3-DhaTph shows significant selectivity, reusability, and excellent ability to perform the cascade reaction.</p>1 aShinde, Digambar, Balaji1 aKandambeth, Sharath1 aPachfule, Pradip1 aKumar, Raya, Rahul1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/bifunctional-covalent-organic-frameworks-two-dimensional-organocatalytic-micropores-001077nas a2200181   4500008004100000022001400041245007400055210006900129260011000198300001600308490000700324520037000331100002100701700002400722700002000746700002000766856010900786       2015                        eng d  a1359-734500aHollow tubular porous covalent organic framework (COF) nanostructures0 aHollow tubular porous covalent organic framework COF nanostructu  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN  a11717-117200 v513 a<p>Hollow and tubular TpPa-COF structures have been synthesized by template-assisted replication of nanometer sized ZnO-nanorods. The hollow structures composed of microporous TpPa shells have high periodicity, moderate porosity, chemical stability and capsule shaped morphology as revealed by X-ray diffraction, porosity measurements, and SEM and TEM analyses.</p>1 aPachfule, Pradip1 aKandmabeth, Sharath1 aMallick, Arijit1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/hollow-tubular-porous-covalent-organic-framework-cof-nanostructures-001463nas a2200169   4500008004100000022001400041245011600055210006900171260007100240300001400311490000700325520078500332100002101117700001801138700002001156856011701176       2016                        eng d  a0020-166900aFunctionalization and isoreticulation in a series of metal-organic frameworks derived from pyridinecarboxylates0 aFunctionalization and isoreticulation in a series of metalorgani  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG  a7200-72050 v553 a<p>The partially fluorinated metal-organic frameworks (F-MOFs) have been constructed from 3-fltoro-4-pyridinecarboxylic acid and trans-3-fluoro-4-pyridineacrylic acid linkers using Mn2+, Co2+, and, Cd2+ metals via the solvothetrnal method, which show isostructural isomerism with their nonfluorinated counterparts synthesized using 4-pyridinecarboxylic acid and trans-4-pyridineacrylic acid, respectively. The simultaneous effect of partial fluorination and isoreticulation on structure and H-2 adsorption has been studied systematically in isostructural nonfluorinated and partially fluorinated MOFs, which shows that the increment in the hydrogen uptake properties in F-MOFs is not a universal phenomenon but is rather system-specific and changes from one system to another.</p>1 aPachfule, Pradip1 aGarai, Bikash1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/functionalization-and-isoreticulation-series-metal-organic-frameworks-derived02009nas a2200217   4500008004100000245017300041210006900214260000800283300001600291490000600307520117200313100002101485700002801506700001701534700002001551700002401571700002101595700002501616700002001641856013001661       2017                        eng d00aPredesigned metal-anchored building block for in situ generation of Pd nanoparticles in porous covalent organic framework: application in heterogeneous tandem catalysis0 aPredesigned metalanchored building block for in situ generation   cAPR  a13785-137920 v93 aThe development of nanoparticle-polymer-hybrid-based heterogeneous catalysts with high reactivity and good recyclability is highly desired for their applications in the chemical and pharmaceutical industries: Herein, we have developed a novel synthetic strategy by choosing a predesigned metal-anchored building block for in situ generation of metal (Pd) nanoparticles in the stable, porous, and crystalline covalent organic framework (COF), without using conventional reducing agents. In situ generation of Pd nanoparticles in the COF Skeleton is explicitly confirmed' from PXRD, XPS, TEM images, and N-15 NMR spectral analysis. This hybrid material is found to be an excellent reusable heterogeneous catalyst for the synthesis of biologically and pharmaceutically important 2-substituted benzofurans from 2-bromophencils and terminal alkynes via a tandem process with the turnover number up to 1101. The heterogeneity of the catalytic process is unambiguously verified by a mercury poisoning experiment and leaching test. This hybrid material shows superior catalytic performance compared to commercially available homogeneous as well as heterogeneous Pd catalysts.1 aBhadra, Mohitosh1 aSasmal, Himadri, Sekhar1 aBasu, Arghya1 aMidya, Siba, P.1 aKandambeth, Sharath1 aPachfule, Pradip1 aBalaraman, Ekambaram1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/predesigned-metal-anchored-building-block-situ-generation-pd-nanoparticles-porous-covalent02353nas a2200169   4500008004100000245008000041210006900121260000800190300001400198490000800212520177300220100001901993700001802012700002102030700002002051856011202071       2018                        eng d00aPorosity prediction through hydrogen bonding in covalent organic frameworks0 aPorosity prediction through hydrogen bonding in covalent organic  cAPR  a5138-51450 v1403 aEasy and bulk-scale syntheses of two-dimensional (2D) covalent organic frameworks (COFs) represent an enduring challenge in material science. Concomitantly, the most critical aspect is to precisely control the porosity and crystallinity of these robust structures. Disparate complementary approaches such as solvothermal synthesis have emerged recently and are fueled in part by the usage of different modulators and acids that have enriched the COF library. Yet, the fundamental understanding of the integral processes of 2D COF assembly, induding their growth from nucleating sites and the origin of periodicity, is an intriguing chemical question that needs to be answered. To address these cardinal questions, a green and easy-to-perform approach of COF formation has been delineated involving acid-diamine salt precursors. The role of hydrogen bonding [d(av)(N-amine-H center dot center dot center dot O-acid); d(av) signifies the average N-amine-H center dot center dot center dot O-acid distances, i.e., the average distance from the H atom of the amine to the O atom of the acid] present in the acid-diamine salts in improving the COFs' crystallinity and porosity has further been decoded by thorough crystallographic analyses of the salt molecules. What is particularly noteworthy is that we have established the hydrogen-bonding distances d(av)(N-amine-H center dot center dot center dot O-acid) in the acid-diamine salts that are pivotal in maintaining the reversibility of the reaction, which mainly facilitates highly crystalline and porous COF formation. Moreover, this reactant-structure to the product-quality relationship has further been utilized for the synthesis of highly crystalline and porous COFs that are unattainable by other synthetic means.1 aKarak, Suvendu1 aKumar, Sushil1 aPachfule, Pradip1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/porosity-prediction-through-hydrogen-bonding-covalent-organic-frameworks01713nas a2200229   4500008004100000245012500041210006900166260000800235300001400243490000700257520090400264100001801168700001901186700002201205700001701227700002201244700002601266700002101292700001801313700002001331856013201351       2018                        eng d00aUltrastable imine-based covalent organic frameworks for sulfuric acid recovery: an effect of interlayer hydrogen bonding0 aUltrastable iminebased covalent organic frameworks for sulfuric   cMAY  a5797-58020 v573 aA rapid and scalable synthesis of six new imine-linked highly porous and crystalline COFs is presented that feature exceptionally high chemical stability in harsh environments including conc. H2SO4 (18M), conc. HCl (12M), and NaOH (9M). This is because of the presence of strong interlayer C-H center dot center dot center dot N hydrogen bonding among the individual layers, which provides significant steric hindrance and a hydrophobic environment around the imine (-C=N-) bonds, thus preventing their hydrolysis in such an abrasive environment. These COFs were further converted into porous, crystalline, self-standing, and crack-free COF membranes (COFMs) with extremely high chemical stability for their potential applications for sulfuric acid recovery. The as-synthesized COFMs exhibit unprecedented permeance for acetonitrile (280 Lm(-2) h(-1) bar(-1)) and acetone (260 Lm(-2) h(-1) bar(-1)).1 aHalder, Arjun1 aKarak, Suvendu1 aAddicoat, Matthew1 aBera, Saibal1 aChakraborty, Amit1 aKunjattu, Shebeeb, H.1 aPachfule, Pradip1 aHeine, Thomas1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/ultrastable-imine-based-covalent-organic-frameworks-sulfuric-acid-recovery-effect-interlayer